Spektraris NMR
18beta-Olean-12-ene-3beta-23,28-triol
Common Name: 18beta-Olean-12-ene-3beta-23,28-triol
Synonyms: 18beta-Olean-12-ene-3beta-23,28-triol
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)13-15-30(19-32)16-14-28(5)20(21(30)17-25)7-8-23-26(3)11-10-24(33)27(4,18-31)22(26)9-12-29(23,28)6/h7,21-24,31-33H,8-19H2,1-6H3/t21-,22+,23+,24-,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=GGJRJQAJVMFZIP-ODAROHGKSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tori K., Yoshimura Y., Seo S., Sakarawi K., Tomita Y., Ishii H. Tetrahedron Lett (1976) 46, 4163
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.3 |
| 2 (CH2) | 26 |
| 3 (CH) | 76.7 |
| 4 (C) | 41.8 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.4 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.6 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 122.3 |
| 13 (C) | 144.2 |
| 14 (C) | 41.8 |
| 15 (CH2) | 25.6 |
| 16 (CH2) | 22 |
| 17 (C) | 36.9 |
| 18 (CH) | 42.4 |
| 19 (CH2) | 46.5 |
| 20 (C) | 31 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 31 |
| 23 (CH2) | 72 |
| 24 (CH3) | 11.4 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 26.8 |
| 28 (CH2) | 69.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.6 |
