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Substance Name: Marsdekoiside C
RN: 139502-16-2
InChIKey: QWXNVJDFMDISDX-UHFFFAOYSA-N

Molecular Weight

  • 917.088
 
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Names and Synonyms

Name of Substance

  • Marsdekoiside C

Synonym

  • 12,20-di-O-Acetyl-dihydrosarcostin-3-O-3-O-methyl-6-deoxy-beta-D-allopyranosyl-(1-4)-O-beta-D-oleandropyranosyl-(1-4)-O-beta-D-cymaropyranoside

Systematic Name

  • Pregnane-8,12,14,17,20-pentol, 3-((O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-, 12,20-diacetate, (3beta,5alpha,12beta,14beta,17alpha,20S)-

Registry Numbers

CAS Registry Number

  • 139502-16-2

System Generated Number

  • 0139502162

Structure Descriptors

InChI

1S/C46H76O18/c1-22-36(49)40(56-11)37(50)41(59-22)64-39-24(3)58-35(20-31(39)55-10)63-38-23(2)57-34(19-30(38)54-9)62-29-13-14-42(7)28(18-29)12-15-45(52)32(42)21-33(61-27(6)48)43(8)44(51,16-17-46(43,45)53)25(4)60-26(5)47/h22-25,28-41,49-53H,12-21H2,1-11H3

InChIKey

QWXNVJDFMDISDX-UHFFFAOYSA-N

Smiles

O1[C@@H](C)[C@@H]([C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1[C@@H](O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@@]4([C@@H]5C[C@@H]([C@@]6([C@@](CC[C@@]6([C@@]5(CC[C@@H]4C3)O)O)([C@@H](C)OC(=O)C)O)C)OC(=O)C)C)C[C@@H]2OC)C[C@@H]1OC)C)O