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

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]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H](O)[C@H]1O

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

Approval Year

Name

Type

Language

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

Preferred Name

English

JUJUBOSIDE A

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

55466-04-1