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Substance Name: Marsdekoiside B
RN: 139953-35-8
InChIKey: OVOSPCKCJQHZPN-UHFFFAOYSA-N

Molecular Formula

  • C49-H76-O17

Molecular Weight

  • 937.1224
 
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Names and Synonyms

Name of Substance

  • Marsdekoiside B

Synonym

  • 12-O-Benzoyl-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-benzoate, (3beta,5alpha,12beta,14beta,17alpha,20S)-

Registry Numbers

CAS Registry Number

  • 139953-35-8

System Generated Number

  • 0139953358

Structure Descriptors

InChI

1S/C49H76O17/c1-25-38(51)42(59-9)39(52)44(62-25)66-41-27(3)61-37(23-33(41)58-8)65-40-26(2)60-36(22-32(40)57-7)63-31-16-17-45(5)30(21-31)15-18-48(55)34(45)24-35(64-43(53)29-13-11-10-12-14-29)46(6)47(54,28(4)50)19-20-49(46,48)56/h10-14,25-28,30-42,44,50-52,54-56H,15-24H2,1-9H3

InChIKey

OVOSPCKCJQHZPN-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6(C5CC(C7(C6(CCC7(C(C)O)O)O)C)OC(=O)c8ccccc8)O)C)C)C)O)OC)O