Summary

Molecular formula: C31H48O3
SMILES: CC(=C(C)C)[C@@H]1OC(=O)C(C1)C1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C
InChI: InChI=1S/C31H48O3/c1-18(2)19(3)24-17-20(27(33)34-24)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h20-21,24-26,32H,9-17H2,1-8H3/t20?,21?,24-,25+,26+,29-,30-,31+/m1/s1
InChIKey: QNIOIQFWRJSVOW-XBMCVYNJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCC1C1CCC2C3=C(CCC21)C1CCCCC1CC3

Scaffold Graph/Node level:
OC1OCCC1C1CCC2C3CCC4CCCCC4C3CCC12

Scaffold Graph level:
CC1CCCC1C1CCC2C1CCC1C3CCCCC3CCC12

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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:
inonotusol f

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External chemical identifiers:
CID_139585375; NPATLAS_NPA008139; CHEMSPIDER_78441031

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Chemical structure download