| SpectraBase Compound ID | 1XzEl71lMp8 |
|---|---|
| InChI | InChI=1S/C31H46O5/c1-17-13-31(19(3)18(2)15-35-31)36-20-14-27(5)21-7-8-22-28(6,25(33)34)23(32)9-10-29(22)16-30(21,29)12-11-26(27,4)24(17)20/h17-18,20-24,32H,3,7-16H2,1-2,4-6H3,(H,33,34)/t17-,18?,20+,21+,22+,23+,24+,26-,27+,28+,29-,30+,31+/m1/s1 |
| InChIKey | YCCIEQLSDVGOIO-ZCMMSCLUSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C31H46O5 |
| Exact Mass | 498.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXFRBSoQzQk |
|---|---|
| Name | 3-BETA,16-BETA,22-BETA-TRIHYDROXY-24-METHYL-(16.23:23.26)-DIEPOXYCYCLOART-24-(24A)-EN-29-OIC_ACID |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O5 |
| InChI | InChI=1S/C31H46O5/c1-17-13-31(19(3)18(2)15-35-31)36-20-14-27(5)21-7-8-22-28(6,25(33)34)23(32)9-10-29(22)16-30(21,29)12-11-26(27,4)24(17)20/h17-18,20-24,32H,3,7-16H2,1-2,4-6H3,(H,33,34)/t17-,18?,20+,21+,22+,23+,24+,26-,27+,28+,29-,30+,31+/m1/s1 |
| InChIKey | YCCIEQLSDVGOIO-ZCMMSCLUSA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 498.703 g/mol |
| Sample ID | 39737 |
| Solvent | CD3OD |