Summary

Molecular formula: C31H46O7
SMILES: COC(=O)C(CC(=O)C[C@H](C1=C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)O)C)C
InChI: InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h13,16-17,20,22-24,33,35-36H,9-12,14-15H2,1-8H3/t16-,17?,20+,22?,23+,24+,29+,30-,31+/m1/s1
InChIKey: CWKRZZXKJFNDBT-XEMZTADASA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2C=CCC2C2=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:
resinacein i

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External chemical identifiers:
CID_139590938; NPATLAS_NPA023683; CHEMSPIDER_78442399

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Chemical structure download