JUJUBOSIDE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H84O21
Molecular Weight	1045.2108
Optical Activity	UNSPECIFIED
Defined Stereocenters	29 / 29
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]6[C@@H]7[C@]8(C[C@@]56CO8)O[C@H](C[C@]7(C)O)C=C(C)C)C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=OAVAUZCEOWCYCC-QEOGCQCLSA-N

InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51-,52-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H84O21
Molecular Weight	1045.2108
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	29 / 29
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:12:10 GMT 2025` Edited by `admin` on `Tue Apr 01 22:12:10 GMT 2025`
Record UNII	V5D63ZF3BE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JUJUBOSIDE B

Common Name

English

(3.BETA.,16.BETA.,23R)-16,23:16,30-DIEPOXY-20-HYDROXYDAMMAR-24-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(O-.BETA.-D-XYLOPYRANOSYL-(1->2)-.BETA.-D-GLUCOPYRANOSYL-(1->3))-.ALPHA.-L-ARABINOPYRANOSIDE

Preferred Name

English

.ALPHA.-L-ARABINOPYRANOSIDE, (3.BETA.,16.BETA.,23R)-16,23:16,30-DIEPOXY-20-HYDROXYDAMMAR-24-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(O-.BETA.-D-XYLOPYRANOSYL-(1->2)-.BETA.-D-GLUCOPYRANOSYL-(1->3))-

Systematic Name

English

Code System Code Type Description

FDA UNII

V5D63ZF3BE

Created by admin on Tue Apr 01 22:12:10 GMT 2025 , Edited by admin on Tue Apr 01 22:12:10 GMT 2025

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EPA CompTox

DTXSID80670023

Created by admin on Tue Apr 01 22:12:10 GMT 2025 , Edited by admin on Tue Apr 01 22:12:10 GMT 2025

PRIMARY

CAS

55466-05-2

Created by admin on Tue Apr 01 22:12:10 GMT 2025 , Edited by admin on Tue Apr 01 22:12:10 GMT 2025

PRIMARY

PUBCHEM

24721031

Created by admin on Tue Apr 01 22:12:10 GMT 2025 , Edited by admin on Tue Apr 01 22:12:10 GMT 2025

PRIMARY

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JUJUBE SEED

PARENT -> CONSTITUENT ALWAYS PRESENT

Amount: