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Substance Name: Corchorusin D
RN: 108886-04-0
InChIKey: WWABOEGJVNVCGA-BNQVJPHMSA-N

Note

  • Isolated from Cochorus acutangulus.

Molecular Formula

  • C42-H68-O13

Molecular Weight

  • 780.986
 
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Names and Synonyms

Name of Substance

  • Corchorusin D

Systematic Name

  • beta-D-Galactopyranoside, (3beta,16beta)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 2-O-beta-D-glucopyranosyl-

Registry Numbers

CAS Registry Number

  • 108886-04-0

System Generated Number

  • 0108886040

Structure Descriptors

InChI

1S/C42H68O13/c1-36(2)14-15-41-20-51-42(25(41)16-36)13-9-24-38(5)11-10-27(37(3,4)23(38)8-12-39(24,6)40(42,7)17-26(41)45)54-35-33(31(49)29(47)22(19-44)53-35)55-34-32(50)30(48)28(46)21(18-43)52-34/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23?,24?,25+,26-,27?,28-,29+,30+,31+,32-,33-,34+,35+,38+,39-,40+,41?,42?/m1/s1

InChIKey

WWABOEGJVNVCGA-BNQVJPHMSA-N

Smiles

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@@H](O)[C@H](O1)CO)[C@@H]1CC[C@@]2([C@@H]3C=C[C@@]45[C@H]6CC(CC[C@@]6([C@@H](C[C@@]4([C@@]3(CC[C@@H]2C1(C)C)C)C)O)CO5)(C)C)C