(8R,9S,13S,14S,17R)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

CAS: 22415-44-7

Molecular Formula	`C21H26O3`
Molecular Weight	326.4 g/mol
LogP	3.6
Topological Polar Surface Area	49.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	326.1882
Heavy Atoms	24
Complexity	551.0

Chemical Identifiers

CAS Number	22415-44-7
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=C(C=C34)OC)O`
InChIKey	`NRGDXTWZJCEVEB-PVHGPHFFSA-N`

📖 Product Overview

(8R,9S,13S,14S,17R)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (CAS: 22415-44-7) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.4 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17R)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. LogP 3.6 Topological Polar Surface Area 49.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 326.1882 Heavy Atoms 24 Complexity 551.0 InChI Key: NRGDXTWZJCEVEB-PVHGPHFFSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=C(C=C34)OC)O.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (8R,9S,13S,14S,17R)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.

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