17alpha-Ethynyl-4,6beta-ethanoestradiol

6-ethynyl-5-methylpentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-1(19),15,17-triene-6,16-diol

CAS: 62842-09-5

Molecular Formula	`C22H26O2`
Molecular Weight	322.4 g/mol
LogP	4.0
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	322.19327
Heavy Atoms	24
Complexity	590.0

Chemical Identifiers

CAS Number	62842-09-5
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CC4CCC5=C(C=CC3=C45)O`
InChIKey	`VMALNTHDTSFPDO-UHFFFAOYSA-N`

📖 Product Overview

17alpha-Ethynyl-4,6beta-ethanoestradiol (CAS: 62842-09-5) is a chemical compound with molecular formula C22H26O2 and molecular weight 322.4 g/mol. Its IUPAC systematic name is 6-ethynyl-5-methylpentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-1(19),15,17-triene-6,16-diol. LogP 4.0 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 322.19327 Heavy Atoms 24 Complexity 590.0 InChI Key: VMALNTHDTSFPDO-UHFFFAOYSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CC4CCC5=C(C=CC3=C45)O.

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