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Substance Name: 24-O-beta-D-Glucopyranosyl officigenin
RN: 100009-97-0
InChIKey: JXOPLJROXYWZMK-UHFFFAOYSA-N

Molecular Formula

  • C66-H102-O14

Molecular Weight

  • 1119.52
 
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Names and Synonyms

Results Name

  • 24-O-beta-D-Glucopyranosyl officigenin

Synonym

  • 24-O-beta-D-Glucopyranosyl officigenin

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 24-(beta-D-glucopyranosyloxy)-3-hydroxy-, 29-((3beta,20alpha)-17-carboxy-3-oxo-28-norolean-12-en-29-yl) ester, (3beta,4beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 100009-97-0

System Generated Number

  • 0100009970

Structure Descriptors

InChI

1S/C66H102O14/c1-55(2)42-16-22-63(10)44(58(42,5)20-18-46(55)68)14-12-37-39-32-56(3,24-28-65(39,52(73)74)30-26-61(37,63)8)35-79-54(77)57(4)25-29-66(53(75)76)31-27-62(9)38(40(66)33-57)13-15-45-59(6)21-19-47(69)60(7,43(59)17-23-64(45,62)11)36-78-51-50(72)49(71)48(70)41(34-67)80-51/h12-13,39-51,67-72H,14-36H2,1-11H3,(H,73,74)(H,75,76)

InChIKey

JXOPLJROXYWZMK-UHFFFAOYSA-N

Smiles

C1[C@@]2([C@@H](CC[C@@]3([C@@H]2CC=C2[C@@]3(C)CC[C@@]3([C@@H]2C[C@@](CC3)(C)C(OC[C@@]2(CC[C@@]3(CC[C@@]4([C@@]5(CC[C@@H]6[C@@]([C@@H]5CC=C4[C@@H]3C2)(C)CC[C@@H](O)C6(C)C)C)C)C(O)=O)C)=O)C(O)=O)C)[C@@](CO[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)(C)[C@@H](C1)O)C