SpectraBase Compound ID | 5KLpRFVsFL9 |
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InChI | InChI=1S/C38H58O15S/c1-17-8-11-38(48-15-17)18(2)28-25(52-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)50-35-33(30(41)26(16-47-35)53-54(44,45)46)51-34-32(43)31(42)29(40)19(3)49-34/h6,18-19,21-35,39-43H,1,7-16H2,2-5H3,(H,44,45,46)/t18-,19+,21+,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38-/m0/s1 |
InChIKey | UEWOHALPXQIQFD-GYVMERDKSA-N |
Mol Weight | 786.9 g/mol |
Molecular Formula | C38H58O15S |
Exact Mass | 786.349642 g/mol |
SpectraBase Spectrum ID | I3BZ1scFiev |
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Name | ANGUDRACANOSIDE_B;SPIROST-5,25-(27)-ENE-1-BETA,3-BETA-DIOL-1-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-(4-O-SULFO)-ALPHA-L-ARABINOPYRANOSIDE |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C38H58O15S |
InChI | InChI=1S/C38H58O15S/c1-17-8-11-38(48-15-17)18(2)28-25(52-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)50-35-33(30(41)26(16-47-35)53-54(44,45)46)51-34-32(43)31(42)29(40)19(3)49-34/h6,18-19,21-35,39-43H,1,7-16H2,2-5H3,(H,44,45,46)/t18-,19+,21+,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38-/m0/s1 |
InChIKey | UEWOHALPXQIQFD-GYVMERDKSA-N |
Literature Reference Author | M.XU,Y.J.ZHANG,X.C.LI,M.R.JACOB,C.R.YANG |
Literature Reference Citation | J.NAT.PROD.,73,1524(2010) |
Literature Reference DOI | 10.1021/np100351p |
Molecular Weight | 786.930 g/mol |
Sample ID | 36326 |
Solvent | C5D5N |