Spektraris NMR
(3β,22α)-3,22,23-Trihydroxy-13,28-epoxyoleanan-16-one
Common Name: (3β,22α)-3,22,23-Trihydroxy-13,28-epoxyoleanan-16-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-24(2)13-20-29(22(33)14-24)17-35-30(20)12-8-19-25(3)10-9-21(32)26(4,16-31)18(25)7-11-27(19,5)28(30,6)15-23(29)34/h8,12,18-23,31-34H,7,9-11,13-17H2,1-6H3/t18-,19-,20-,21+,22+,23-,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=FRJHVFAWNGQLFW-FOKVQKJISA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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) | 38.2 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 75.2 |
| 4 (C) | 42.2 |
| 5 (CH) | 49 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 32.1 |
| 8 (C) | 41.8 |
| 9 (CH) | 52.8 |
| 10 (C) | 36.4 |
| 11 (CH) | 133.2 |
| 12 (CH) | 130.3 |
| 13 (C) | 85.5 |
| 14 (C) | 43.8 |
| 15 (CH2) | 34.3 |
| 16 (CH) | 70.5 |
| 17 (C) | 47.5 |
| 18 (CH) | 50.4 |
| 19 (CH2) | 37.4 |
| 20 (C) | 33.2 |
| 21 (CH2) | 45.7 |
| 22 (CH) | 74.3 |
| 23 (CH2) | 69.6 |
| 24 (CH3) | 11.3 |
| 25 (CH3) | 18.4 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 18.1 |
| 28 (CH2) | 76.9 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 25.2 |
