Summary

Molecular formula: C34H52O7
SMILES: CC(=O)O[C@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2[C@H](O)CC2[C@]1(C)CC[C@H](C2(C)C)OC(=O)C)C)C)C/C=C(/C(=O)O)C
InChI: InChI=1S/C34H52O7/c1-19(30(38)39)10-11-26(40-21(3)35)20(2)23-12-17-34(9)29-24(13-16-33(23,34)8)32(7)15-14-28(41-22(4)36)31(5,6)27(32)18-25(29)37/h10,20,23,25-28,37H,11-18H2,1-9H3,(H,38,39)/b19-10+/t20-,23+,25+,26-,27?,28+,32+,33+,34-/m0/s1
InChIKey: DFTRGMQOYOBJLB-ASYFBCCQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
3a,22b-diacetoxy-7a -hydroxyl-5a-lanost-8,24e-dien-26-oic acid

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Chemical structure download