| SpectraBase Compound ID | HkMN01WIyBF |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 |
| InChIKey | AYDKOFQQBHRXEW-AAUPIIFFSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Mot4OIB4HB |
|---|---|
| Name | BARRINGTOGENOL-C;3-BETA,16-ALPHA,21-BETA,22-ALPHA,28-PENTAHYDROXY-OLEAN-12-ENE |
| Compound Number | 92 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 |
| InChIKey | AYDKOFQQBHRXEW-AAUPIIFFSA-N |
| Literature Reference Author | S.B.MAHATO,A.P.KUNDU |
| Literature Reference Citation | PHYTOCHEM.,37,1517(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89569-2 |
| Molecular Weight | 490.724 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5192 |