Summary

Molecular formula: C30H46O6
SMILES: COC(=O)C(C(=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2C1(C)CC[C@H]([C@]2(C)O)O)C)C
InChI: InChI=1S/C30H46O6/c1-16(18(3)27(34)36-7)8-9-17(2)19-10-11-20-25-21(31)14-23-28(4,13-12-24(33)30(23,6)35)26(25)22(32)15-29(19,20)5/h17-21,23-24,31,33,35H,1,8-15H2,2-7H3/t17-,18?,19-,20+,21+,23-,24-,28?,29-,30-/m1/s1
InChIKey: NYFNZJMQANRILZ-VFPONNFASA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC2C2=C1C1CCCCC1CC2

Scaffold Graph/Node level:
OC1CC2CCCC2C2CCC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCC2C2CCC3CCCCC3C12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives

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Synonymous chemical names:
(25s)-methyl antcinate k, methyl antcinate k

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Chemical structure download