SpectraBase Compound ID | K4d4Ikl9w8f |
---|---|
InChI | InChI=1S/C44H70O14/c1-22-30(49)34(58-37-33(52)35(55-23(2)47)31(50)24(19-45)56-37)32(51)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25?,26?,27?,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,39+,40+,41-,42+,43-,44+/m1/s1 |
InChIKey | HAUJZZHHHIUYEJ-OOWIBWSVSA-N |
Mol Weight | 823.0 g/mol |
Molecular Formula | C44H70O14 |
Exact Mass | 822.476557 g/mol |
SpectraBase Spectrum ID | 7sgB5Dr5Wfn |
---|---|
Name | 3''-O-ACETYLSAIKOSAPONIN-A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C44H70O14 |
InChI | InChI=1S/C44H70O14/c1-22-30(49)34(58-37-33(52)35(55-23(2)47)31(50)24(19-45)56-37)32(51)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25?,26?,27?,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,39+,40+,41-,42+,43-,44+/m1/s1 |
InChIKey | HAUJZZHHHIUYEJ-OOWIBWSVSA-N |
Literature Reference Author | J.-K.DING,H.FUJINO,R.KASAI,N.FUJIMOTO,O.TANAKA,J.ZHOU,H.MATS UURA,T.FUWA |
Literature Reference Citation | CHEM.PHARM.BULL.,34,1158(1986) |
Literature Reference DOI | 10.1248/cpb.34.1158 |
Molecular Weight | 823.031 g/mol |
Solvent | PYRIDINE-D5 |
Source File Reference | UWBK170 |