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Substance Name: Soladulcoside A
RN: 137031-53-9
InChIKey: BVALVRBXQYLPOW-PDVVVGIASA-N

Note

  • Isolated from Solanum dulcamara.

Molecular Formula

  • C39-H62-O15

Molecular Weight

  • 770.904
 
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Names and Synonyms

Name of Substance

  • Soladulcoside A

Synonym

  • 3beta,15alpha,23alpha-Trihydroxy-5alpha-spirostan-26-one 3-O-alpha-rhamnopyranosyl-(1-2)-beta-glucopyranoside

Systematic Name

  • Spirostan-26-one, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-15,23-dihydroxy-, (3beta,5alpha,15alpha,23S,25R)-

Registry Numbers

CAS Registry Number

  • 137031-53-9

System Generated Number

  • 0137031539

Structure Descriptors

InChI

1S/C39H62O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h15-33,35-36,40-47H,6-14H2,1-5H3/t15-,16+,17+,18+,19+,20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39?/m1/s1

InChIKey

BVALVRBXQYLPOW-PDVVVGIASA-N

Smiles

C1[C@@H](C[C@@H]2CC[C@H]3[C@@H]4[C@H]([C@@H]5O[C@@]6([C@H]([C@H]5[C@@]4(C)CC[C@H]3[C@@]2(C1)C)C)OC([C@@H](C[C@@H]6O)C)=O)O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O2)C)[C@@H](O)[C@H](O)[C@H](O1)CO