JUJUBOSIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C58H94O26
Molecular Weight	1207.3514
Optical Activity	UNSPECIFIED
Defined Stereocenters	34 / 34
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]5O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@@]1%10CO[C@@]%11(C%10)O[C@H](C[C@](C)(O)[C@]2%11[H])C=C(C)C

InChI

InChIKey=KVKRFLVYJLIZFD-OQVAHBRNSA-N

InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,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-,52-,54-,55+,56-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C58H94O26
Molecular Weight	1207.3514
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	34 / 34
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:14 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:14 GMT 2023`
Record UNII	PN3SW9GZ6X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JUJUBOSIDE A

Common Name

English

α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-

Systematic Name

English

(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside

Systematic Name

English

Code System Code Type Description

CAS

55466-04-1