| SpectraBase Compound ID | 3GeP45Y1ckS |
|---|---|
| InChI | InChI=1S/C30H40O12/c1-13(31)37-18-12-21(34)41-26(3,4)17-11-19(38-14(2)32)29(7)16(28(17,18)6)8-9-27(5)22(15-10-20(33)39-24(15)35)40-25(36)23-30(27,29)42-23/h16-20,22-23,33,35H,8-12H2,1-7H3/t16?,17?,18-,19+,20?,22-,23?,27-,28+,29-,30?/m0/s1 |
| InChIKey | ZJEVIFPAOZQMQQ-FXTXEQNSSA-N |
| Mol Weight | 592.6 g/mol |
| Molecular Formula | C30H40O12 |
| Exact Mass | 592.251977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vKXBrIx2xJ |
|---|---|
| Name | CEDRELLIN;22,23-DIHYDRO-21,23-DIHYDROXY-7-ALPHA-ACETOXY-DIHYDRONOMILIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O12 |
| InChI | InChI=1S/C30H40O12/c1-13(31)37-18-12-21(34)41-26(3,4)17-11-19(38-14(2)32)29(7)16(28(17,18)6)8-9-27(5)22(15-10-20(33)39-24(15)35)40-25(36)23-30(27,29)42-23/h16-20,22-23,33,35H,8-12H2,1-7H3/t16?,17?,18-,19+,20?,22-,23?,27-,28+,29-,30?/m0/s1 |
| InChIKey | ZJEVIFPAOZQMQQ-FXTXEQNSSA-N |
| Literature Reference Author | X.D.LUO,S.H.WU,Y.B.MA,D.G.WU |
| Literature Reference Citation | FITOTERAPIA,71,492(2000) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00158-1 |
| Molecular Weight | 592.640 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWVN3850 |