| SpectraBase Compound ID | H44Dq0uaZz6 |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1 |
| InChIKey | JYNBNJRQZZSLPN-NYVWVNPOSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdTRhM6rkI1 |
|---|---|
| Name | DATURADIOL-(3-BETA,6-BETA-DIHYDROXY-OLEAN-12-ENE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1 |
| InChIKey | JYNBNJRQZZSLPN-NYVWVNPOSA-N |
| Literature Reference Author | D.S.ARAUJO,M.H.CHAVES |
| Literature Reference Citation | QUIM.NOVA,28,996(2005) |
| Literature Reference DOI | 10.1590/s0100-40422005000600012 |
| Molecular Weight | 442.726 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12226 |