DEHYDROCOMMERSONINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H83NO21
Molecular Weight	1046.1988
Optical Activity	UNSPECIFIED
Defined Stereocenters	31 / 31
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@]7([H])O[C@H](CO)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@]%10([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]7O

InChI

InChIKey=PNSNMPAXFQRVOV-LUBYFOPBSA-N

InChI=1S/C51H83NO21/c1-20-5-8-27-21(2)33-28(52(27)15-20)14-26-24-7-6-22-13-23(9-11-50(22,3)25(24)10-12-51(26,33)4)66-46-42(65)39(62)43(32(19-56)70-46)71-49-45(73-48-41(64)38(61)35(58)30(17-54)68-48)44(36(59)31(18-55)69-49)72-47-40(63)37(60)34(57)29(16-53)67-47/h6,20-21,23-49,53-65H,5,7-19H2,1-4H3/t20-,21+,23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50-,51-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H83NO21
Molecular Weight	1046.1988
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	30 / 31
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:52:43 GMT 2023` Edited by `admin` on `Sat Dec 16 12:52:43 GMT 2023`
Record UNII	8ORO1FQM8B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEHYDROCOMMERSONINE

Common Name

English

(3.BETA.)-SOLANID-5-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-GALACTOPYRANOSIDE

Systematic Name

English

.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-

Systematic Name

English

DIDEHYDROCOMMERSONINE

Common Name

English

5,6-DIDEHYDROCOMMERSONINE

Common Name

English

Code System Code Type Description

CAS

65428-74-2

Created by admin on Sat Dec 16 12:52:43 GMT 2023 , Edited by admin on Sat Dec 16 12:52:43 GMT 2023

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FDA UNII

8ORO1FQM8B

Created by admin on Sat Dec 16 12:52:43 GMT 2023 , Edited by admin on Sat Dec 16 12:52:43 GMT 2023

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PUBCHEM

101699426

Created by admin on Sat Dec 16 12:52:43 GMT 2023 , Edited by admin on Sat Dec 16 12:52:43 GMT 2023

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