Summary

Molecular formula: C30H44O3
SMILES: Cc1coc(c1)C(=O)C([C@@H]1CC[C@]2([C@@]1(C)CCC1=C2CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C
InChI: InChI=1S/C30H44O3/c1-18-16-23(33-17-18)26(32)19(2)20-10-14-30(7)22-8-9-24-27(3,4)25(31)12-13-28(24,5)21(22)11-15-29(20,30)6/h16-17,19-20,24-25,31H,8-15H2,1-7H3/t19?,20-,24?,25-,28+,29-,30+/m0/s1
InChIKey: BRGPOTGGFUVACV-ILCZTSEPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCC2C3=C(CCC12)C1CCCCC1CC3)c1ccco1

Scaffold Graph/Node level:
OC(CC1CCC2C1CCC1C3CCCCC3CCC12)C1CCCO1

Scaffold Graph level:
CC(CC1CCC2C1CCC1C3CCCCC3CCC12)C1CCCC1

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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:
igniarine

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External chemical identifiers:
CID_139591710; NPATLAS_NPA024597; CHEMSPIDER_78439913

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Chemical structure download