Summary

Molecular formula: C30H44O6
SMILES: COC(=O)C(C(=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)C)C
InChI: InChI=1S/C30H44O6/c1-15(17(3)28(35)36-7)8-9-16(2)19-10-11-20-24-23(32)14-21-18(4)22(31)12-13-29(21,5)25(24)26(33)27(34)30(19,20)6/h16-22,27,31,34H,1,8-14H2,2-7H3/t16-,17?,18+,19-,20+,21+,22-,27+,29+,30-/m1/s1
InChIKey: ZWMDJBNGXKAIRO-PRBDMEKXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2=O

Scaffold Graph/Node level:
OC1CC2CCCC2C2C(O)CC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCC2C2C(C)CC3CCCCC3C12

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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:
methyl antcinate h

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External chemical identifiers:
CID_70698239; NPATLAS_NPA016482; CHEMSPIDER_35518381

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Chemical structure download