| SpectraBase Compound ID | 1oYWsngWu4y |
|---|---|
| InChI | InChI=1S/C36H62O9/c1-31(2)24(39)11-12-33(5)23-9-8-20-25-19(32(3,4)43)10-13-36(25,18-38)15-14-34(20,6)35(23,7)16-21(29(31)33)44-30-28(42)27(41)26(40)22(17-37)45-30/h19-30,37-43H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+,33-,34-,35-,36-/m1/s1 |
| InChIKey | AFVLZFSNNATKHV-WNNPJAAQSA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C36H62O9 |
| Exact Mass | 638.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8k0xAGiHCo |
|---|---|
| Name | SCHEFFLERIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H62O9 |
| InChI | InChI=1S/C36H62O9/c1-31(2)24(39)11-12-33(5)23-9-8-20-25-19(32(3,4)43)10-13-36(25,18-38)15-14-34(20,6)35(23,7)16-21(29(31)33)44-30-28(42)27(41)26(40)22(17-37)45-30/h19-30,37-43H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+,33-,34-,35-,36-/m1/s1 |
| InChIKey | AFVLZFSNNATKHV-WNNPJAAQSA-N |
| Literature Reference Author | Z.ZHAO,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,Y.TAKEDA,M.KAWAHATA,K .YAMAGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1343(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1343 |
| Molecular Weight | 638.883 g/mol |
| Source File Reference | UWBT3919 |