QUINOVIC ACID GLYCOSIDE 1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H76O19
Molecular Weight	957.1056
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]7(O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C1(C)C)O[C@H](C)[C@H](O)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O

InChI

InChIKey=NBWKXBHUWZKQKG-NCYGRLIXSA-N

InChI=1S/C48H76O19/c1-20-10-15-47(42(59)60)16-17-48(43(61)67-40-36(57)34(55)32(53)25(19-50)64-40)23(29(47)21(20)2)8-9-27-45(6)13-12-28(44(4,5)26(45)11-14-46(27,48)7)65-41-37(58)38(30(51)22(3)62-41)66-39-35(56)33(54)31(52)24(18-49)63-39/h8,20-22,24-41,49-58H,9-19H2,1-7H3,(H,59,60)/t20-,21+,22-,24-,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,45+,46-,47+,48-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H76O19
Molecular Weight	957.1056
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	25 / 25
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:09:01 UTC 2023` Edited by `admin` on `Sat Dec 16 02:09:01 UTC 2023`
Record UNII	65XM929TPW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUINOVIC ACID GLYCOSIDE 1

Common Name

English

(1S,2R,4AS,6AR,6AR,6BR,8AR,10S,12AR,14BS)-10-((2R,3R,4S,5S,6R)-3,5-DIHYDROXY-6-METHYL-4-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXYOXAN-2-YL)OXY-1,2,6B,9,9,12A-HEXAMETHYL-6A-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2

Systematic Name

English

URS-12-ENE-27,28-DIOIC ACID, 3-((6-DEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-, 27-.BETA.-D-GLUCOPYRANOSYL ESTER, (3.BETA.)-

Systematic Name

English

3BETA-(3-O-(BETA-D-GLUCOPYRANOSYL)-BETA-D-FUCOPYRANOSYLOXY)URS-12-ENE-27,28-DIOIC ACID 27-(BETA-D-GLUCOPYRANOSYL) ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

44593498

Created by admin on Sat Dec 16 02:09:01 UTC 2023 , Edited by admin on Sat Dec 16 02:09:01 UTC 2023

PRIMARY

CAS

115598-76-0

Created by admin on Sat Dec 16 02:09:01 UTC 2023 , Edited by admin on Sat Dec 16 02:09:01 UTC 2023

PRIMARY

FDA UNII

65XM929TPW

Created by admin on Sat Dec 16 02:09:01 UTC 2023 , Edited by admin on Sat Dec 16 02:09:01 UTC 2023

PRIMARY

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