Spektraris NMR
12α-epoxy-3β,23-dihydroxyolean-28,13β-olide
Common Name: 12α-epoxy-3β,23-dihydroxyolean-28,13β-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-24(2)12-14-29-15-13-28(6)27(5)11-8-18-25(3,17-31)9-7-10-26(18,4)21(27)20-22(33-20)30(28,19(29)16-24)34-23(29)32/h18-22,31H,7-17H2,1-6H3/t18-,19+,20-,21+,22-,25-,26-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=BLPSPKYQVBSTSH-VQMWWCFWSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kamiya, K., Yoshioka, K., Saiki, Y., Ikuta, A., Satake, T. Phytochemistry (1997) 44, 141-4
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) | 38.7 |
| 2 (CH2) | 27.4 |
| 3 (CH2) | 73 |
| 4 (C) | 43.1 |
| 5 (CH) | 48 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 31.2 |
| 8 (C) | 41 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.7 |
| 11 (CH) | 52.9 |
| 12 (CH) | 57.4 |
| 13 (C) | 87.6 |
| 14 (C) | 41.2 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 21.7 |
| 17 (C) | 44.1 |
| 18 (CH) | 51.4 |
| 19 (CH2) | 38.1 |
| 20 (C) | 31.5 |
| 21 (CH2) | 34.5 |
| 22 (CH2) | 27.7 |
| 23 (CH2) | 67.7 |
| 24 (CH3) | 12.7 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 20.5 |
| 28 (C) | 178.9 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.5 |
