 Home > Encyclopedia > (1R,2S,4S,8S,9S,12S,13S,16S,18R)-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-ol

(1R,2S,4S,8S,9S,12S,13S,16S,18R)-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-ol

(1R,2S,4S,8S,9S,12S,13S,16S,18R)-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-ol structure

CAS No:
11005-21-3
Formula:
C27H44O3
Chemical Name:
(1R,2S,4S,8S,9S,12S,13S,16S,18R)-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-ol
Synonyms:
Pseudosmilagenin;11005-21-3;NSC88533;ZINC4901236;NSC-88533;C19650;(25R)-5beta-Furost-20(22)-ene-3beta,26-diol

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(1R,2S,4S,8S,9S,12S,13S,16S,18R)-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-ol Basic Attributes

Molecular Weight：

416.6 g/mol

Exact Mass：

416.32904526 g/mol

NSC Number：

88533

Characteristics

PSA：

49.7 Å²

Computed Properties

Molecular Weight:416.6
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:416.32904526
Monoisotopic Mass:416.32904526
Topological Polar Surface Area:49.7
Heavy Atom Count:30
Complexity:700
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,2S,4S,8S,9S,12S,13S,16S,18R)-6-[(3R)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-ol

Basic Attributes
Characteristics
Computed Properties

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