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Substance Name: Hovenidulcioside B2
RN: 174902-17-1
InChIKey: ZWAMUWXPVAELPG-HRVCMFSSSA-N

Note

  • Dammarane from seeds & fruit of Hovenia dulcis.

Molecular Formula

  • C38-H60-O12

Molecular Weight

  • 708.88
 
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Names and Synonyms

Name of Substance

  • Hovenidulcioside B2

Synonym

  • 21-Nor-16,17-secodammarane-16,26-dioic acid, 20-(acetyloxy)-3-(beta-D- glucopyranosyloxy)-23,30-dihydroxy-17-methyl-, di-gamma-lactone, (3beta,17R,20S,23S,25R)-

Systematic Name

  • Spiro(furan-3(2H),1'(2'H)-phenanthren)-5(4H)-one, 2'-((1R,2S)-2-(acetyloxy)-1-methyl-3-((2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl)propyl)-7'-(beta-D-glucopyranosyloxy)dodecahydro-4'b,8',8',10'a-tetramethyl-, (1'S,2'R,4'aR,4'bR,7'S,8'aR,10'aR)-

Registry Numbers

CAS Registry Number

  • 174902-17-1

System Generated Number

  • 0174902171

Structure Descriptors

InChI

1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3/t19-,20-,22+,23-,24+,25-,26+,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1

InChIKey

ZWAMUWXPVAELPG-HRVCMFSSSA-N

Smiles

C[C@@H]1C[C@H](OC1=O)C[C@@H]([C@H](C)[C@H]2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@]25CC(=O)OC5)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)OC(=O)C