Summary

Molecular formula: C33H50O5
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2C[C@H]2O[C@]3(OC(=O)[C@H]([C@@H]3C)C)C[C@H]([C@@H]3[C@@]2([C@@]1(C)CC3)C)C)C
InChI: InChI=1S/C33H50O5/c1-18-17-33(20(3)19(2)28(35)38-33)37-27-16-24-23(31(8)15-12-22(18)32(27,31)9)10-11-25-29(5,6)26(36-21(4)34)13-14-30(24,25)7/h18-20,22,25-27H,10-17H2,1-9H3/t18-,19+,20+,22-,25+,26-,27-,30-,31+,32+,33+/m1/s1
InChIKey: SGSMRLJTYJLFMA-FPOLEOGZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCC3CCC4C5=C(CC(O2)C34)C2CCCCC2CC5)O1

Scaffold Graph/Node level:
OC1CCC2(CCC3CCC4C5CCC6CCCCC6C5CC(O2)C34)O1

Scaffold Graph level:
CC1CCC2(CCC3CCC4C5CCC6CCCCC6C5CC(C2)C34)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 lactones

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Synonymous chemical names:
fomlactone a

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External chemical identifiers:
CID_11071470; CHEMSPIDER_9246622; ZINC_ZINC000255264455

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Chemical structure download