 Home > Encyclopedia > (3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one

(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one

(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one structure

CAS No:
99759-48-5
Formula:
C29H37NO6
Chemical Name:
(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one
Synonyms:
8H-13,3,6a-Ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one,14-(benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-,(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-;Heteratisan-14-one,6-(benzoyloxy)-20-ethyl-8-hydroxy-1-methoxy-4-methyl-,(1α,6β)-;(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one;Heteratisine 6-benzoate;6-O-Benzoylheteratisine;6-Benzoylheteratisine;8H-13,3,6a-Ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one,14-(benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-,[3R-(3α,6β,6aα,7β,7aα,10β,12aα,13α,13aβ,14S*,15R*)]-;(1α,8β)-6β-Benzoyloxy-6-dehydroxyheteratisine

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(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one Basic Attributes

Molecular Weight：

495.60700

Exact Mass：

495.61

Characteristics

PSA：

85.30000

XLogP3：

2.98790

Density：

1.32g/cm3

Melting Point：

212-214 °C @ Solvent: Ethanol

Boiling Point：

645.9ºC

Flash Point：

344.4ºC

Refractive Index：

1.622

Drug Information

MeSH Entry Terms：

6-benzoyl-heteratisine

Computed Properties

Molecular Weight:495.6
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:495.26208790
Monoisotopic Mass:495.26208790
Topological Polar Surface Area:85.3
Heavy Atom Count:36
Complexity:950
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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