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Substance Name: Periandradulcin A
RN: 135545-88-9
InChIKey: LZTRWBPIEBHLJP-UHFFFAOYSA-N

Note

  • From Periandra dulcis Mart.

Molecular Formula

  • C56-H82-O22

Molecular Weight

  • 1107.2418
 
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Names and Synonyms

Name of Substance

  • Periandradulcin A

Synonym

  • 3-O-beta-(alpha-L-Rhamnopyranosyl(1-2)-beta-D-xylopyranosyl(1-2)-beta-D-glucuronopyranosyl)-30-hydroxy-25-formylolean-18-ene-22-beta-O-syringate

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,20beta,22beta)-29-hydroxy-22-((4-hydroxy-3,5-dimethoxybenzoyl)oxy)-25-oxoolean-18-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-2)-

Registry Numbers

CAS Registry Number

  • 135545-88-9

System Generated Number

  • 0135545889

Structure Descriptors

InChI

1S/C56H82O22/c1-25-36(60)39(63)42(66)48(73-25)77-44-37(61)29(59)22-72-49(44)78-45-41(65)40(64)43(46(67)68)76-50(45)75-34-13-15-56(24-58)32(51(34,2)3)12-14-55(7)33(56)11-10-27-28-20-52(4,23-57)21-35(53(28,5)16-17-54(27,55)6)74-47(69)26-18-30(70-8)38(62)31(19-26)71-9/h18-20,24-25,27,29,32-37,39-45,48-50,57,59-66H,10-17,21-23H2,1-9H3,(H,67,68)

InChIKey

LZTRWBPIEBHLJP-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C6CCC7C8=CC(CC(C8(CCC7(C6(CCC5C4(C)C)C)C)C)OC(=O)c9cc(c(c(c9)OC)O)OC)(C)CO)C=O)C(=O)O)O)O)O)O)O)O)O