Summary

Molecular formula: C30H48O3
SMILES: CC(=CC[C@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)O)C
InChI: InChI=1S/C30H48O3/c1-18(2)9-11-22(31)19(3)20-13-16-29(7)21-10-12-24-27(4,5)25(33)14-15-28(24,6)26(21)23(32)17-30(20,29)8/h9,19-20,22,24-25,31,33H,10-17H2,1-8H3/t19-,20+,22+,24-,25-,28-,29-,30+/m0/s1
InChIKey: IJDKSGMUNLLABQ-VOLPLGQESA-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: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
inonotsuoxodiol a

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External chemical identifiers:
CID_49780666; NPATLAS_NPA007859; CHEMSPIDER_78437184; ZINC_ZINC000255219610

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Chemical structure download