SpectraBase Compound ID | BaT0TXx2Rn5 |
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InChI | InChI=1S/C35H50O11/c1-15(2)35(42,16(3)37)30-29-24(31(41)46-30)25-22(44-29)13-21-19-7-6-17-12-18(8-10-33(17,4)20(19)9-11-34(21,25)5)43-32-28(40)27(39)26(38)23(14-36)45-32/h13,15,17-18,22-30,32,36,38-40,42H,6-12,14H2,1-5H3/t17-,18-,22-,23+,24-,25+,26+,27-,28+,29+,30-,32+,33-,34-,35+/m0/s1 |
InChIKey | QFCNOTITWLKEPZ-PRFICSFHSA-N |
Mol Weight | 646.8 g/mol |
Molecular Formula | C35H50O11 |
Exact Mass | 646.335312 g/mol |
SpectraBase Spectrum ID | 8t7HL2UVlYU |
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Name | VERNOANTHELOSIDE-A;(3S,5S,10S,13R,16R,17S,20S,22R,23S,24S)-16,22-EPOXY-21,23-LACTONE-24-HYDROXY-3-O-BETA-D-GLUCOSTIGMASTA-8,14-DIEN-28-ONE |
Compound Number | 10 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C35H50O11 |
InChI | InChI=1S/C35H50O11/c1-15(2)35(42,16(3)37)30-29-24(31(41)46-30)25-22(44-29)13-21-19-7-6-17-12-18(8-10-33(17,4)20(19)9-11-34(21,25)5)43-32-28(40)27(39)26(38)23(14-36)45-32/h13,15,17-18,22-30,32,36,38-40,42H,6-12,14H2,1-5H3/t17-,18-,22-,23+,24-,25+,26+,27-,28+,29+,30-,32+,33-,34-,35+/m0/s1 |
InChIKey | QFCNOTITWLKEPZ-PRFICSFHSA-N |
Literature Reference Author | L.HUA,W.Y.QI,S.H.HUSSAIN,K.GAO,M.ARFAN |
Literature Reference Citation | STEROIDS,77,811(2012) |
Literature Reference DOI | 10.1016/j.steroids.2012.03.003 |
Molecular Weight | 646.775 g/mol |
Sample ID | 70628 |
Solvent | CDCl3:CD3OD=1:1 |