Structure & Deep Data of 17-Hydroxywortmannin, S6 (C33H51N3O8)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 17-Hydroxywortmannin, S6 molecule contains a total of 98 bond(s). There are 47 non-H bond(s), 6 multiple bond(s), 13 rotatable bond(s), 6 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 2 ester(s) (aliphatic), 2 ketone(s) (aliphatic), 3 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), and 1 ether(s) (aliphatic). Images of the chemical structure of 17-Hydroxywortmannin, S6 are given below:

The 2D chemical structure image of 17-Hydroxywortmannin, S6 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 17-Hydroxywortmannin, S6 are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 17-Hydroxywortmannin, S6 is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 17-Hydroxywortmannin, S6. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 17-Hydroxywortmannin, S6 Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 17-Hydroxywortmannin, S6

  The SMILES string of 17-Hydroxywortmannin, S6 is COCC3OC(=O)C(=CN(CCCN(C)C)CCCN(C)C)C4C(=O)C(=O)C1=C(C(CC2(C)C(O)CCC12)OC(C)=O)C34C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 17-Hydroxywortmannin, S6.

• Structure Data File (SDF/MOL File) of 17-Hydroxywortmannin, S6

  The structure data file (SDF/MOL File) of 17-Hydroxywortmannin, S6 is available for download in the SDF page of 17-Hydroxywortmannin, S6, which provides the information about the atoms, bonds, connectivity and coordinates of 17-Hydroxywortmannin, S6. The 17-Hydroxywortmannin, S6 structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 17-Hydroxywortmannin, S6

  The molecular formula of 17-Hydroxywortmannin, S6 is available in chemical formula page of 17-Hydroxywortmannin, S6, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 17-Hydroxywortmannin, S6

  The molecular weight of 17-Hydroxywortmannin, S6 is available in molecular weight page of 17-Hydroxywortmannin, S6, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 17-Hydroxywortmannin, S6

  The 17-Hydroxywortmannin, S6 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 17-Hydroxywortmannin, S6 including the various registry numbers, if available:

  • (2R,3S,6E,14S,15S,17R)-6-({bis[3-(dimethylamino)propyl]amino}methylidene)-8,14-dihydroxy-3-(methoxymethyl)-2,15-dimethyl-5,9-dioxo-4-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),7-dien-17-yl acetate
  • BDBM21046
  • 17-Hydroxywortmannin, S6

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17-Hydroxywortmannin, S6 Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 17-Hydroxywortmannin, S6?
C33H51N3O8
How many atoms and what are the elements included the 17-Hydroxywortmannin, S6 molecule?
95 atom(s) - 51 Hydrogen atom(s), 33 Carbon atom(s), 3 Nitrogen atom(s), and 8 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 17-Hydroxywortmannin, S6 structure?
98 bond(s) - 47 non-H bond(s), 6 multiple bond(s), 13 rotatable bond(s), 6 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 2 ester(s) (aliphatic), 2 ketone(s) (aliphatic), 3 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), and 1 ether(s) (aliphatic)
What’s the 17-Hydroxywortmannin, S6’s molecular weight?
617.77334 g/mol
What’s the SMILES code of 17-Hydroxywortmannin, S6?
COCC3OC(=O)C(=CN(CCCN(C)C)CCCN(C)C)C4C(=O)C(=O)C1=C(C(CC2(C)C(O)CCC12)OC(C)=O)C34C
What’s the InChI string of 17-Hydroxywortmannin, S6?
InChI=1S/C33H51N3O8/c1-20(37)43-23-17-32(2)22(11-12-24(32)38)26-28(23)33(3)25(19-42-8)44-31(41)21(27(33)30(40)29(26)39)18-36(15-9-13-34(4)5)16-10-14-35(6)7/h18,22-25,27,38H,9-17,19H2,1-8H3/b21-18+/t22?,23-,24+,25-,27?,32+,33+/m1/s1
What’s the InChIKey code of 17-Hydroxywortmannin, S6?
JCAZTMPYIYKFKY-BBNOAWFDSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).