| SpectraBase Compound ID | CiF0M1TlcVY |
|---|---|
| InChI | InChI=1S/C33H44O11/c1-16(2)32-26(41-22(35)14-13-20-11-9-8-10-12-20)18(4)33-21-15-17(3)25(40-19(5)34)31(21,39)28(37)29(6,38)24(36)23(33)27(32)42-30(7,43-32)44-33/h8-12,17-18,21,23-28,36-39H,1,13-15H2,2-7H3/t17-,18+,21+,23-,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-/m0/s1 |
| InChIKey | QQXREVRDDYMTOR-YBMGCPGFSA-N |
| Mol Weight | 616.7 g/mol |
| Molecular Formula | C33H44O11 |
| Exact Mass | 616.288362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cpGdawKaS8 |
|---|---|
| Name | TRIGOHETERIN_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H44O11 |
| InChI | InChI=1S/C33H44O11/c1-16(2)32-26(41-22(35)14-13-20-11-9-8-10-12-20)18(4)33-21-15-17(3)25(40-19(5)34)31(21,39)28(37)29(6,38)24(36)23(33)27(32)42-30(7,43-32)44-33/h8-12,17-18,21,23-28,36-39H,1,13-15H2,2-7H3/t17-,18+,21+,23-,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-/m0/s1 |
| InChIKey | QQXREVRDDYMTOR-YBMGCPGFSA-N |
| Literature Reference Author | S.H.DONG,H.B.LIU,C.H.XU,J.DING,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,74,2576(2011) |
| Literature Reference DOI | 10.1021/np200772n |
| Molecular Weight | 616.706 g/mol |
| Sample ID | 39680 |
| Solvent | CDCl3 |