| SpectraBase Compound ID | GR9n7MlLsYC |
|---|---|
| InChI | InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22-,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1 |
| InChIKey | WKCJIGSUKSPCKI-UAOGMFHKSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C34H48O11 |
| Exact Mass | 632.319662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bKYugE2uRn |
|---|---|
| Name | SITOINDOSIDE_IX |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O11 |
| InChI | InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22-,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1 |
| InChIKey | WKCJIGSUKSPCKI-UAOGMFHKSA-N |
| Literature Reference Author | H.ZHANG,A.K.SAMADI,R.J.GALLAGHER,J.J.ARAYA,X.TONG,V.W.DAY,M. S.COHEN,K.KINDSCHER, |
| Literature Reference Citation | J.NAT.PROD.,74,2532(2011) |
| Literature Reference DOI | 10.1021/np200635r |
| Molecular Weight | 632.749 g/mol |
| Sample ID | 39632 |
| Solvent | C5D5N |