Summary

Molecular formula: C28H36
SMILES: CC([C@@H](C=C[C@H]([C@H]1CC=C2[C@]1(C)CCc1c2ccc2c1c(C)ccc2)C)C)C
InChI: InChI=1S/C28H36/c1-18(2)19(3)10-11-20(4)25-14-15-26-23-13-12-22-9-7-8-21(5)27(22)24(23)16-17-28(25,26)6/h7-13,15,18-20,25H,14,16-17H2,1-6H3/t19-,20-,25-,28-/m1/s1
InChIKey: FPQQKAKTGXPOSV-SGLJDDLJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2c3ccc4ccccc4c3CCC2CC1

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: Steroids and steroid derivatives
Sub class: Cholestane steroids

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Synonymous chemical names:
(17β,20r,22e,24r)-1-methyl-19-norergosta-1,3,5,7,9,14,22-heptaene

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Chemical structure download