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(15β,16E)-16,17,20,21-Tetradehydro-16-(hydroxymethyl)-18,19-secoyohimban-19-oicacidmethylester

(15β,16E)-16,17,20,21-Tetradehydro-16-(hydroxymethyl)-18,19-secoyohimban-19-oicacidmethylester structure

CAS No:
5523-49-9
Formula:
C21H24N2O3
Chemical Name:
(15β,16E)-16,17,20,21-Tetradehydro-16-(hydroxymethyl)-18,19-secoyohimban-19-oicacidmethylester
Synonyms:
Dihydrovallesiachotamine

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(15β,16E)-16,17,20,21-Tetradehydro-16-(hydroxymethyl)-18,19-secoyohimban-19-oicacidmethylester Basic Attributes

Molecular Weight：

352.42686

Exact Mass：

352.179

Characteristics

PSA：

65.6

XLogP3：

2.8

Density：

1.29±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:352.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:352.17869263
Monoisotopic Mass:352.17869263
Topological Polar Surface Area:65.6
Heavy Atom Count:26
Complexity:614
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (15β,16E)-16,17,20,21-Tetradehydro-16-(hydroxymethyl)-18,19-secoyohimban-19-oicacidmethylester

Basic Attributes
Characteristics
Computed Properties

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