Summary

Molecular formula: C30H50O3
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@]1(C2=O)[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C
InChI: InChI=1S/C30H50O3/c1-19(2)10-9-11-20(3)21-12-14-29(8)25(33)30(17-16-27(21,29)6)24(32)18-22-26(4,5)23(31)13-15-28(22,30)7/h10,20-24,31-32H,9,11-18H2,1-8H3/t20-,21-,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey: CRIPBGQVLWFPPG-VUFDTFQMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2CCCC2CCC12CCC1CCCCC12

Scaffold Graph/Node level:
OC1C2CCCC2CCC12CCC1CCCCC12

Scaffold Graph level:
CC1C2CCCC2CCC12CCC1CCCCC12

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Chemical classification

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

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Synonymous chemical names:
spiroinonotsuoxodiol

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External chemical identifiers:
CID_49780664; NPATLAS_NPA014648; CHEMSPIDER_28288049; ZINC_ZINC000142691515

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Chemical structure download