SpectraBase Compound ID | KjdVlVjVCZg |
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InChI | InChI=1S/C48H78O20/c1-20-27(52)29(54)33(58)40(63-20)67-35-30(55)28(53)23(17-49)64-41(35)68-36-32(57)31(56)34(39(61)62)66-42(36)65-26-11-12-45(4)24(46(26,5)19-51)10-13-48(7)25(45)9-8-21-22-16-43(2,18-50)37(59)38(60)44(22,3)14-15-47(21,48)6/h8,20,22-38,40-42,49-60H,9-19H2,1-7H3,(H,61,62)/t20-,22-,23+,24?,25?,26-,27-,28-,29+,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-,41-,42+,43+,44+,45-,46+,47+,48+/m0/s1 |
InChIKey | OCIVJMXBKNHHJK-SAGDYSJKSA-N |
Mol Weight | 975.1 g/mol |
Molecular Formula | C48H78O20 |
Exact Mass | 974.508645 g/mol |
SpectraBase Spectrum ID | 9nA1XKrk4cT |
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Name | KUDZUSAPONIN-A3 |
Compound Number | 7 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C48H78O20 |
InChI | InChI=1S/C48H78O20/c1-20-27(52)29(54)33(58)40(63-20)67-35-30(55)28(53)23(17-49)64-41(35)68-36-32(57)31(56)34(39(61)62)66-42(36)65-26-11-12-45(4)24(46(26,5)19-51)10-13-48(7)25(45)9-8-21-22-16-43(2,18-50)37(59)38(60)44(22,3)14-15-47(21,48)6/h8,20,22-38,40-42,49-60H,9-19H2,1-7H3,(H,61,62)/t20-,22-,23+,24?,25?,26-,27-,28-,29+,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-,41-,42+,43+,44+,45-,46+,47+,48+/m0/s1 |
InChIKey | OCIVJMXBKNHHJK-SAGDYSJKSA-N |
Literature Reference Author | T.ARAO,J.KINJO,T.NOHARA,R.ISOBE |
Literature Reference Citation | CHEM.PHARM.BULL.,45,362(1997) |
Literature Reference DOI | 10.1248/cpb.45.362 |
Molecular Weight | 975.135 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN28737 |