Summary

Molecular formula: C30H42O8
SMILES: O=C(C(C(C(=O)O)C)O)/C=C(/[C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C
InChI: InChI=1S/C30H42O8/c1-14(10-18(32)25(36)15(2)26(37)38)16-11-22(35)30(7)24-17(31)12-20-27(3,4)21(34)8-9-28(20,5)23(24)19(33)13-29(16,30)6/h10,15-17,20-21,25,31,34,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+/t15?,16-,17+,20?,21+,25?,28+,29-,30+/m1/s1
InChIKey: RRZCIJOEXYRBDW-XYTNWHGLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC(=O)C2C2=C1C1CCCCC1CC2

Scaffold Graph/Node level:
OC1CCC2CC(O)C3C4CCCCC4CCC3C12

Scaffold Graph level:
CC1CCC2CC(C)C3C4CCCCC4CCC3C12

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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 m

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External chemical identifiers:
CID_139590941; NPATLAS_NPA023687; CHEMSPIDER_78445648

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Chemical structure download