Summary

Molecular formula: C29H46O6
SMILES: CC(CC(=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)O
InChI: InChI=1S/C29H46O6/c1-15(10-17(31)11-16(2)30)18-12-23(35)29(7)25-19(32)13-21-26(3,4)22(34)8-9-27(21,5)24(25)20(33)14-28(18,29)6/h15-16,18-19,21-23,30,32,34-35H,8-14H2,1-7H3/t15-,16?,18-,19+,21+,22+,23+,27+,28-,29+/m1/s1
InChIKey: BYRGJKZMDMBDDL-POESAPRRSA-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:
26-nor-11,23-dioxo-5 a -lanost-8-en-3b,7b,15 a ,25-tetrol, 26-nor-11,23-dioxo-5α-lanost-8-en-3β,7β,15α,25-tetrol

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External chemical identifiers:
NPATLAS_NPA009623

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Chemical structure download