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Substance Name: Anchusoside-5
RN: 103766-07-0
InChIKey: UXNJZCIDKFVLKW-PFDZANHXSA-N

Molecular Formula

  • C42-H68-O15

Molecular Weight

  • 812.984
 
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Names and Synonyms

Results Name

  • Anchusoside-5

Synonym

  • Anchusoside-5

Systematic Name

  • Olean-12-en-28-oic acid, 21-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-3,23-dihydroxy-, (3beta,4alpha,21beta)-

Registry Numbers

CAS Registry Number

  • 103766-07-0

System Generated Number

  • 0103766070

Structure Descriptors

InChI

1S/C42H68O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-26(46)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,36(52)53)16-27(37)56-35-33(31(50)29(48)23(18-44)55-35)57-34-32(51)30(49)28(47)22(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23-,24?,25+,26-,27-,28-,29-,30+,31+,32-,33-,34+,35+,38+,39-,40-,41-,42-/m1/s1

InChIKey

UXNJZCIDKFVLKW-PFDZANHXSA-N

Smiles

C1[C@H]([C@@](CO)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)C[C@H](C(C)(C)C[C@H]5C4=CC[C@@H]3[C@@]2(C1)C)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)O