Summary

Molecular formula: C22H34O4
SMILES: O[C@@H]1CC[C@]2([C@H]([C@@H]1C)CC(=O)C1=C2CC[C@]2([C@H]1CC[C@]2(O)[C@H](O)C)C)C
InChI: InChI=1S/C22H34O4/c1-12-16-11-18(25)19-14(20(16,3)8-7-17(12)24)5-9-21(4)15(19)6-10-22(21,26)13(2)23/h12-13,15-17,23-24,26H,5-11H2,1-4H3/t12-,13+,15-,16-,17+,20+,21-,22-/m0/s1
InChIKey: MHAYDOHKEQXCEG-GLVQIBCTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CCC3CCCC3C12

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Chemical classification

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

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Synonymous chemical names:
(3r,4s,5s,17r,20r)-3,17,20-trihydroxy-4-methylpregn-8-en-7-one

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External chemical identifiers:
CID_46872462; NPATLAS_NPA003779; ZINC_ZINC000255233847

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Chemical structure download