| SpectraBase Compound ID | KkMgcsR2kk |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-22,24-25,31-32H,10-16H2,1-8H3/t19-,20-,21+,22-,24-,25-,27+,28-,29-,30+/m0/s1 |
| InChIKey | GJCFGYOIXLZELH-LHASHULKSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66pJQSFrR5K |
|---|---|
| Name | RUBIARBONONE-D;7-BETA,19-ALPHA-DIHYDROXYARBOR-9(11)-EN-3-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-22,24-25,31-32H,10-16H2,1-8H3/t19-,20-,21+,22-,24-,25-,27+,28-,29-,30+/m0/s1 |
| InChIKey | GJCFGYOIXLZELH-LHASHULKSA-N |
| Literature Reference Author | M.J.LIOU,T.S.WU |
| Literature Reference Citation | J.NAT.PROD.,65,1283(2002) |
| Literature Reference DOI | 10.1021/np020038k |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI5180 |