 Home > Encyclopedia > (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one

(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one

(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one structure

CAS No:
117695-02-0
Formula:
C28H47NO2
Chemical Name:
(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one
Synonyms:
N-Methyl-3-hydroxy-5-veratranine-6-one; Ningpeisine; Dihydro-korsevin;

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(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one Basic Attributes

Molecular Weight：

429.67800

Exact Mass：

429.360679742

Characteristics

PSA：

40.54000

XLogP3：

5.34540

Density：

1.026g/cm3

Boiling Point：

533.5ºC

Flash Point：

276.5ºC

Refractive Index：

1.518

Vapor Pressure：

1.31E-13mmHg at 25°C

Drug Information

MeSH Entry Terms：

N-methyl-3-hydroxy-5-veratranine-6-one

Computed Properties

Molecular Weight:429.7
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:429.360679742
Monoisotopic Mass:429.360679742
Topological Polar Surface Area:40.5
Heavy Atom Count:31
Complexity:693
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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