| SpectraBase Compound ID | 3Xq1RIhRpK1 |
|---|---|
| InChI | InChI=1S/C30H50O3/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/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,27-,28-,29-,30+/m1/s1 |
| InChIKey | PZBGHZIQCYOWLL-GJOOHKEJSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AV12XMySVG |
|---|---|
| Name | RUBIATRIOL |
| CAS Registry Number | 107694-02-0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/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/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,27-,28-,29-,30+/m1/s1 |
| InChIKey | PZBGHZIQCYOWLL-GJOOHKEJSA-N |
| Literature Reference Author | M.ARISAWA,H.UENO,M.NIMURA,T.HAYASHI,N.MORITA |
| Literature Reference Citation | J.NAT.PROD.,49,1114(1986) |
| Literature Reference DOI | 10.1021/np50048a027 |
| Molecular Weight | 458.725 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17141 |