.BETA.1-SOLANINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H63NO10
Molecular Weight	705.9182
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@H](C)CN1[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@H](CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O

InChI

InChIKey=ZLSYCIYRYZUJCZ-ICOPVGSFSA-N

InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H63NO10
Molecular Weight	705.9182
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:58 GMT 2023` Edited by `admin` on `Fri Dec 15 16:25:58 GMT 2023`
Record UNII	721MLX7HAC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.1-SOLANINE

Common Name

English

.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL 2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-

Common Name

English

Code System Code Type Description

PUBCHEM

71587511

Created by admin on Fri Dec 15 16:25:58 GMT 2023 , Edited by admin on Fri Dec 15 16:25:58 GMT 2023

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CAS

142287-76-1

Created by admin on Fri Dec 15 16:25:58 GMT 2023 , Edited by admin on Fri Dec 15 16:25:58 GMT 2023

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FDA UNII

721MLX7HAC

Created by admin on Fri Dec 15 16:25:58 GMT 2023 , Edited by admin on Fri Dec 15 16:25:58 GMT 2023

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EPA CompTox

DTXSID70162008

Created by admin on Fri Dec 15 16:25:58 GMT 2023 , Edited by admin on Fri Dec 15 16:25:58 GMT 2023

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