 Home > Encyclopedia > pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate structure

CAS No:
105344-74-9
Formula:
C39H44O3
Chemical Name:
pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
Synonyms:
1-PMHBC;1-pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate;1-Pmhbc;1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate;(3beta,20S)-1-Pyrenylmethyl 3-hydroxypregn-5-ene-20-carboxylate;105344-74-9;pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate;Pregn-5-ene-20-carboxylic acid, 3-hydroxy-, 1-pyrenylmethyl ester, (3beta,20S)-

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pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate Basic Attributes

Molecular Weight：

560.8 g/mol

Exact Mass：

560.32904526 g/mol

Characteristics

PSA：

46.5 Å²

Drug Information

MeSH Entry Terms：

1-PMHBC

Computed Properties

Molecular Weight:560.8
XLogP3:9.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:560.32904526
Monoisotopic Mass:560.32904526
Topological Polar Surface Area:46.5
Heavy Atom Count:42
Complexity:1080
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

pyren-1-ylmethyl hydrogen sulfate

130965-73-0
pyren-1-ylmethyl acetate

105708-79-0

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Guide of pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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