 Home > Encyclopedia > (5R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one structure

CAS No:
4736-55-4
Formula:
C29H48O
Chemical Name:
(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Synonyms:
(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;Stigmast-22-en-3-one, (5β,22E)-

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(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Basic Attributes

Molecular Weight：

412.69082

Exact Mass：

412.370516150

UNII：

85907B49EV

NSC Number：

63551

Characteristics

PSA：

17.07000

XLogP3：

8.08890

Density：

0.953±0.06 g/cm3(Predicted)

Melting Point：

94 °C

Boiling Point：

490.4±14.0 °C(Predicted)

Flash Point：

204.1ºC

Computed Properties

Molecular Weight:412.7
XLogP3:9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:412.370516150
Monoisotopic Mass:412.370516150
Topological Polar Surface Area:17.1
Heavy Atom Count:30
Complexity:661
Defined Atom Stereocenter Count:9
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Basic Attributes
Characteristics
Computed Properties

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