Spektraris NMR
14b,26-Epoxy-21a-hydroxy-3-oxoserratane
Common Name: 14b,26-Epoxy-21a-hydroxy-3-oxoserratane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)19-9-15-29-17-30(33-18-29)16-10-20-26(3,4)24(32)12-14-28(20,6)22(30)8-7-21(29)27(19,5)13-11-23(25)31/h19-22,24,32H,7-18H2,1-6H3/t19-,20-,21+,22+,24-,27-,28-,29-,30-/m0/s1
InChIKey: InChIKey=BHXIJEIUMAQMTA-UZUFYQHVSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bhutani K.K., Kapoor R., Atal C.K. Phytochemistry (1984) 23, 403
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 38.9 |
| 2 (CH2) | 33.7 |
| 3 (C) | 213.8 |
| 4 (C) | 49.7 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 33.2 |
| 8 (C) | 56.3 |
| 9 (CH) | 40.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 24.9 |
| 13 (CH) | 54.7 |
| 14 (C) | 86.4 |
| 15 (CH2) | 45.6 |
| 16 (CH2) | 23.6 |
| 17 (CH) | 29.8 |
| 18 (C) | 50.5 |
| 19 (CH2) | 35.2 |
| 20 (CH2) | 31.6 |
| 21 (CH) | 79.2 |
| 22 (C) | 42.8 |
| 23 (CH3) | 27.4 |
| 24 (CH3) | 16 |
| 25 (CH3) | 15.3 |
| 26 (CH2) | 75.4 |
| 27 (CH2) | 49.9 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 32.3 |
| 30 (CH3) | 21.7 |
