 Home > Encyclopedia > (1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol

(1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol

(1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol structure

CAS No:
196607-76-8
Formula:
C27H44O5
Chemical Name:
(1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol
Synonyms:
Neoporrigenin A;(-)-Neoporrigenin A;196607-76-8;Spirostan-2,3,6-triol, (2beta,3beta,5alpha,6beta,25S)-

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(1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol Basic Attributes

Molecular Weight：

448.6 g/mol

Exact Mass：

448.31887450 g/mol

Characteristics

PSA：

79.2 Å²

Computed Properties

Molecular Weight:448.6
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Exact Mass:448.31887450
Monoisotopic Mass:448.31887450
Topological Polar Surface Area:79.2
Heavy Atom Count:32
Complexity:758
Defined Atom Stereocenter Count:13
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol

Basic Attributes
Characteristics
Computed Properties

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