| SpectraBase Compound ID | C29pxer34lH |
|---|---|
| InChI | InChI=1S/C42H48O14/c1-21(2)41(55-27(8)46)33(54-37(48)29-18-14-11-15-19-29)23(4)40(49)30-20-22(3)32(53-36(47)28-16-12-10-13-17-28)42(30)38(52-26(7)45)39(9,56-42)34(50-24(5)43)31(40)35(41)51-25(6)44/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39-,40-,41-,42+/m0/s1 |
| InChIKey | VNWXBSJRZOPCTC-RTADNBMMSA-N |
| Mol Weight | 776.8 g/mol |
| Molecular Formula | C42H48O14 |
| Exact Mass | 776.304406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzvJmhGy7lM |
|---|---|
| Name | TRIGOHETERIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48O14 |
| InChI | InChI=1S/C42H48O14/c1-21(2)41(55-27(8)46)33(54-37(48)29-18-14-11-15-19-29)23(4)40(49)30-20-22(3)32(53-36(47)28-16-12-10-13-17-28)42(30)38(52-26(7)45)39(9,56-42)34(50-24(5)43)31(40)35(41)51-25(6)44/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39-,40-,41-,42+/m0/s1 |
| InChIKey | VNWXBSJRZOPCTC-RTADNBMMSA-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 | 776.835 g/mol |
| Sample ID | 39678 |
| Solvent | CDCl3 |