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Substance Name: Affinoside A
RN: 82345-35-5
InChIKey: XHXCSWUCMTUFMB-NVZMPBOTSA-N

Molecular Weight

  • 574.6192
 
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Names and Synonyms

Name of Substance

  • Affinoside A

Systematic Name

  • Carda-4,20(22)-dienolide, 7,8-epoxy-11,14-dihydroxy-12-oxo-2,3-(((2S,3S,4R,6R)-tetrahydro-3-hydroxy-4-methoxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,7beta,11alpha)-

Registry Numbers

CAS Registry Number

  • 82345-35-5

System Generated Number

  • 0082345355

Structure Descriptors

InChI

1S/C30H38O11/c1-13-7-20(36-4)30(35)25(38-13)39-17-9-15-10-19-29(41-19)23(26(15,2)11-18(17)40-30)22(32)24(33)27(3)16(5-6-28(27,29)34)14-8-21(31)37-12-14/h8-9,13,16-20,22-23,25,32,34-35H,5-7,10-12H2,1-4H3/t13-,16-,17-,18?,19+,20-,22+,23?,25+,26+,27+,28-,29+,30+/m1/s1

InChIKey

XHXCSWUCMTUFMB-NVZMPBOTSA-N

Smiles

C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3C=C4C[C@H]5[C@]6(O5)C([C@]4(CC3O2)C)[C@@H](C(=O)[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)O)OC