Summary

Molecular formula: C31H46O4
SMILES: CC(C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CCC1=C2C=C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)O)C
InChI: InChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11-12,18,20,23-24,26,32H,3,9-10,13-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31+/m1/s1
InChIKey: QIKIIGSLIKGMIC-WMNQUVFJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C=CC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1

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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:
tsugaric acid e

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External chemical identifiers:
CHEMSPIDER_58825952

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Chemical structure download