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Substance Name: Hovenidulcioside B1
RN: 174902-16-0
InChIKey: CMTXBVHDOWHMEA-AGGDBPHMSA-N

Note

  • Dammarane from seeds & fruit of Hovenia dulcis.

Molecular Formula

  • C44-H70-O16

Molecular Weight

  • 855.021
 
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Names and Synonyms

Name of Substance

  • Hovenidulcioside B1

Synonym

  • 21-Nor-16,17-secodammarane-16,26-dioic acid, 20-(acetyloxy)-3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-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'-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)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

  • 174902-16-0

System Generated Number

  • 0174902160

Structure Descriptors

InChI

1S/C44H70O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h20-22,24-30,32-37,39-40,45,48-52H,9-19H2,1-8H3/t20-,21-,22+,24+,25-,26+,27-,28+,29-,30+,32+,33-,34-,35+,36-,37-,39+,40+,42+,43-,44+/m1/s1

InChIKey

CMTXBVHDOWHMEA-AGGDBPHMSA-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@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)C)OC(=O)C