Summary

Molecular formula: C31H52O4
SMILES: COC(=O)[C@@H](CC[C@@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)C)O)C
InChI: InChI=1S/C31H52O4/c1-19(27(34)35-8)9-11-24(32)20(2)21-13-17-31(7)23-10-12-25-28(3,4)26(33)15-16-29(25,5)22(23)14-18-30(21,31)6/h19-21,24-26,32-33H,9-18H2,1-8H3/t19-,20+,21-,24+,25+,26-,29-,30-,31+/m1/s1
InChIKey: VRNFHYHHKZYJHI-FZUFJPLHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
astrasiate

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External chemical identifiers:
CID_132556696; CHEMSPIDER_78441982

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Chemical structure download