| SpectraBase Compound ID | 2GJDtgTHnIz |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-24,26,31,33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,26-,28+,29+,30+/m0/s1 |
| InChIKey | KKEFNIPVRNZVIF-VIXUXDSXSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5E14RfZY9lA |
|---|---|
| Name | PINICOLOL-C;3-OXOLANOSTA-7,9(11),24-TRIEN-15-ALPHA,21-DIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-24,26,31,33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,26-,28+,29+,30+/m0/s1 |
| InChIKey | KKEFNIPVRNZVIF-VIXUXDSXSA-N |
| Literature Reference Author | J.ROESECKE,W.A.KOENIG |
| Literature Reference Citation | PHYTOCHEM.,54,603(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00165-5 |
| Molecular Weight | 454.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1363 |