Spektraris NMR
21b-Acetyloxyserrat-14-en-3-one
Common Name: 21b-Acetyloxyserrat-14-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O3/c1-28(2)22(27(34)35-8)13-17-31(6)21-10-12-25-30(5,19-20(21)9-11-23(28)31)16-14-24-29(3,4)26(33)15-18-32(24,25)7/h9,21-25H,10-19H2,1-8H3/t21-,22-,23-,24-,25-,30-,31+,32-/m0/s1
InChIKey: InChIKey=XDMPPYCZOTVAEI-UWXFVUOYSA-N
Formula: C32H50O3
Molecular Weight: 482.738801
Exact Mass: 482.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsuboi, R., Matsunaga, S. Phytochemistry (1994) 37, 209-11
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) | 39.6 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 44.2 |
| 8 (C) | 37.1 |
| 9 (CH) | 62.3 |
| 10 (C) | 37.9 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 56.8 |
| 14 (C) | 138.1 |
| 15 (CH) | 122.3 |
| 16 (CH2) | 23.9 |
| 17 (CH) | 44.4 |
| 18 (C) | 35.9 |
| 19 (CH2) | 31.9 |
| 20 (CH2) | 23 |
| 21 (CH) | 78.3 |
| 22 (C) | 36.6 |
| 23 (CH3) | 27 |
| 24 (CH3) | 21 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 19.4 |
| 27 (CH2) | 56.2 |
| 28 (CH3) | 13.3 |
| 29 (CH3) | 27.3 |
| 30 (CH3) | 21.4 |
| 21a (C) | 170.8 |
| 21b (CH3) | 21.4 |
