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Structure

Pregnane-17 alpha,21-diol-3,20-dione-21-acetate

CAS
26439-43-0
Catalog Number
ACM26439430
Category
Other Products
Molecular Weight
390.53
Molecular Formula
C23H34O5

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Specification

Synonyms
26439-43-0, 2-[(1S,2S,7R,10R,11S,14R,15S)-14-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]-2-oxoethyl acetate
IUPAC Name
[2-[(5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Canonical SMILES
CC(=O)OCC(=O)C1(CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O
InChI Key
SDSTWQKFZBIDEK-VBDJFXSVSA-N
Boiling Point
519.5ºC at 760mmHg
Flash Point
173.4ºC
Density
1.169g/cm³
Exact Mass
390.24100
H-Bond Acceptor
5
H-Bond Donor
1
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