| SpectraBase Compound ID | Ls67knO1qEd |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21?,22?,23?,24?,28?,29+,30?,31-/m1/s1 |
| InChIKey | OTDUGESKRJHFHR-GOLLIAKYSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HNh6BgP9PrX |
|---|---|
| Name | 2.alpha.,3.beta.-Dihydroxy-olean-12-en-28-oic-acid,methylester |
| CAS Registry Number | 22425-82-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21?,22?,23?,24?,28?,29+,30?,31-/m1/s1 |
| InChIKey | OTDUGESKRJHFHR-GOLLIAKYSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 25, 729 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |