SpectraBase Compound ID | 4BROWuFEMnW |
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InChI | 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-VSLASJAISA-N |
Mol Weight | 770.9 g/mol |
Molecular Formula | C39H62O15 |
Exact Mass | 770.408871 g/mol |
SpectraBase Spectrum ID | Ieq2Rj8Zl0z |
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Name | SOLADULCOSIDE-A |
Compound Number | 94 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C39H62O15 |
InChI | 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-VSLASJAISA-N |
Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
Literature Reference DOI | 10.1002/mrc.1260331202 |
Molecular Weight | 770.912 g/mol |
Solvent | C5D5N |