Summary

Molecular formula: C30H44O8
SMILES: OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1C[C@H](O)C1=C2C(=O)C[C@]2([C@@]1(C)[C@@H](O)C=C2[C@@H](CC(=O)CC(C(=O)O)C)C)C)C
InChI: InChI=1S/C30H44O8/c1-15(9-17(32)10-16(2)26(37)38)18-11-23(36)30(6)25-19(33)12-21-27(3,8-7-22(35)28(21,4)14-31)24(25)20(34)13-29(18,30)5/h11,15-16,19,21-23,31,33,35-36H,7-10,12-14H2,1-6H3,(H,37,38)/t15-,16?,19+,21-,22+,23+,27+,28+,29-,30+/m1/s1
InChIKey: BXIBUGHMPIBQEK-GFPVCCEUSA-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:
3β,7β,15α,28-tetrahydroxy-11,23-dioxo-lanost-8,16-dien-26-oic acid

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External chemical identifiers:
NPATLAS_NPA005753

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Chemical structure download