| SpectraBase Compound ID | CtQP4puDOxP |
|---|---|
| InChI | InChI=1S/C41H62O14/c1-20-36(43)29(45-6)16-34(49-20)54-37-21(2)50-32(15-28(37)42)55-38-22(3)51-33(17-30(38)46-7)52-25-12-13-40(4)24(14-25)9-10-26-27(40)11-8-23-18-47-41(5)35(23)31(19-48-41)53-39(26)44/h9,18,20-22,25-38,42-43H,8,10-17,19H2,1-7H3/t20-,21+,22+,25-,26?,27?,28-,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,40?,41-/m0/s1 |
| InChIKey | UTQDRWSHVALSEO-MYPZZTNXSA-N |
| Mol Weight | 778.9 g/mol |
| Molecular Formula | C41H62O14 |
| Exact Mass | 778.413957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqZAGrDeFX1 |
|---|---|
| Name | CYNATRATOSIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O14 |
| InChI | InChI=1S/C41H62O14/c1-20-36(43)29(45-6)16-34(49-20)54-37-21(2)50-32(15-28(37)42)55-38-22(3)51-33(17-30(38)46-7)52-25-12-13-40(4)24(14-25)9-10-26-27(40)11-8-23-18-47-41(5)35(23)31(19-48-41)53-39(26)44/h9,18,20-22,25-38,42-43H,8,10-17,19H2,1-7H3/t20-,21+,22+,25-,26?,27?,28-,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,40?,41-/m0/s1 |
| InChIKey | UTQDRWSHVALSEO-MYPZZTNXSA-N |
| Literature Reference Author | F.ABE,M.HIROKAWA,T.YAMAUCHI,K.HONDA,N.HAYASHI,R.NISHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1384(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1384 |
| Molecular Weight | 778.935 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8278 |