Summary

Molecular formula: C33H46O10
SMILES: O=C(C[C@H](C1CC([C@@]2(C1C(OC(=O)C)C(=O)C1=C2C(=O)CC2[C@]1(C)CCC(C2(C)C)O)C)OC(=O)C)C)CC(C(=O)O)C
InChI: InChI=1S/C33H46O10/c1-15(11-19(36)12-16(2)30(40)41)20-13-24(42-17(3)34)33(8)25(20)29(43-18(4)35)28(39)27-26(33)21(37)14-22-31(5,6)23(38)9-10-32(22,27)7/h15-16,20,22-25,29,38H,9-14H2,1-8H3,(H,40,41)/t15-,16?,20?,22?,23?,24?,25?,29?,32+,33-/m1/s1
InChIKey: DAKRZESEENJAGZ-ZLCBGQPOSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2=O

Scaffold Graph/Node level:
OC1CC2CCCC2C2C(O)CC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCC2C2C(C)CC3CCCCC3C12

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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:
12,15-bis(acetyloxy)-3-hydroxy-7,11,23-trioxo-lanost-8-en-26-oic acid

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Chemical structure download