Summary

Molecular formula: C34H52O8
SMILES: CC(=O)O[C@@H]([C@H]([C@H]1CC[C@@]2([C@]31CO[C@](C3)(O)[C@@]1([C@H]2CC=C2[C@H]1CCC(=O)C2(C)C)C)C)C)C[C@H](C(O)(C)C)OC(=O)C
InChI: InChI=1S/C34H52O8/c1-19(25(41-20(2)35)16-28(30(6,7)38)42-21(3)36)22-14-15-31(8)26-12-10-23-24(11-13-27(37)29(23,4)5)32(26,9)34(39)17-33(22,31)18-40-34/h10,19,22,24-26,28,38-39H,11-18H2,1-9H3/t19-,22+,24+,25+,26-,28+,31-,32-,33-,34-/m0/s1
InChIKey: DSTOROHYHNDBMG-SZCSQRRTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(=CCC3C2C2CC4(CCCC34)CO2)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C2C2CC4(CCCC34)CO2)C1

Scaffold Graph level:
CC1CCC2C(CCC3C2C2CCC4(CCCC34)C2)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Steroid esters

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Synonymous chemical names:
leucopaxillone b

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External chemical identifiers:
CID_21573069; NPATLAS_NPA016403; CHEMSPIDER_10179895; ZINC_ZINC000042834254

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Chemical structure download