Summary

Molecular formula: C46H76O4
SMILES: CCCCCCCC/C=CCCCCCCCC(=O)O[C@H]1C2=C3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@@]3([C@H]1O3)C[C@H](CC2)O)C)[C@@H](/C=C/[C@@H](C(C)C)C)C
InChI: InChI=1S/C46H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-42-41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(45)43(42)50-46/h15-16,24-25,33-37,39,42-43,47H,8-14,17-23,26-32H2,1-7H3/b16-15-,25-24+/t34-,35+,36-,37+,39-,42-,43-,44+,45+,46-/m0/s1
InChIKey: RUMWTSNHGVWHSU-HVXPJFCMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2=C3CC4OC45CCCCC5C3CCC2C1

Scaffold Graph/Node level:
C1CC2CCC3C(CC4OC45CCCCC35)C2C1

Scaffold Graph level:
C1CC2CCC3C(CC4CC45CCCCC35)C2C1

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Chemical classification

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

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Synonymous chemical names:
erinarol a

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External chemical identifiers:
CID_101893613; NPATLAS_NPA003977; CHEMSPIDER_58133361; ZINC_ZINC000299839151

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Chemical structure download