Summary

Molecular formula: C30H46O8
SMILES: O=C(C(C(C(=O)O)C)O)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)O)C
InChI: InChI=1S/C30H46O8/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/h14-17,20-22,25,31,34-36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,16-,17+,20+,21+,22+,25?,28+,29-,30+/m1/s1
InChIKey: DHVGHNKIHZKJJA-YHRRMHMWSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC2C2=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,24-tetrahydroxy-11,23-dioxolanost-8-en-26-oic acid

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External chemical identifiers:
NPATLAS_NPA014156

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Chemical structure download