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Structure

17-Alpha-pregn-5-en-20-yne-3-beta,17-beta-diol

CAS
3604-60-2
Catalog Number
ACM3604602
Category
Other Products
Molecular Weight
314.461700 [g/mol]
Molecular Formula
C21H30O2

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Specification

Synonyms
Ambku947, NSC17098, MolPort-003-657-290, CID226542, Androst-5-ene-3.beta.,17.beta.-diol, 17-ethynyl-, 17.alpha.-Pregn-5-en-20-yne-3.beta.,17.beta.-diol, 5-Androsten-17.alpha.-ethynyl-3.beta.,17.beta.-diol, Pregn-5-en-20-yne-3,17-diol, (3.beta.,17.alpha.)-, 3604-60-2
IUPAC Name
17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Canonical SMILES
CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C#C)O)C)O
InChI Key
VGJUOWGYQZYCII-UHFFFAOYSA-N
Boiling Point
442.4ºC at 760mmHg
Flash Point
197.7ºC
Density
1.14g/cm³
EC Number
222-759-9
Exact Mass
314.22500
H-Bond Acceptor
2
H-Bond Donor
2
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