Summary

Molecular formula: C31H44O8
SMILES: COC(=O)CC[C@@]1(C)[C@@H](C[C@@H]2[C@]3(C1=CC(=O)[C@]1([C@@]3(C)[C@H](O)C[C@@H]1/C(=CC(CC(C(=O)O)C)O)/C)C)O2)C(=C)C
InChI: InChI=1S/C31H44O8/c1-16(2)20-14-25-31(39-25)22(28(20,5)10-9-26(35)38-8)15-23(33)29(6)21(13-24(34)30(29,31)7)17(3)11-19(32)12-18(4)27(36)37/h11,15,18-21,24-25,32,34H,1,9-10,12-14H2,2-8H3,(H,36,37)/b17-11-/t18?,19?,20-,21+,24+,25+,28-,29-,30+,31-/m0/s1
InChIKey: NIGRBWYNYOEGOL-NOXGGFABSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCC3OC23C2CCCC12

Scaffold Graph/Node level:
OC1CC2CCCC3OC23C2CCCC12

Scaffold Graph level:
CC1CC2CCCC3CC23C2CCCC12

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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:
elfvingic acid h me ester

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External chemical identifiers:
CID_21668670; NPATLAS_NPA002078; CHEMSPIDER_10276027

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Chemical structure download