Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O4/c1-20(34)37-27-14-16-32(7)22-10-11-25-31(6,19-21(22)18-23(35)28(32)30(27,4)5)15-12-24-29(2,3)26(36-9)13-17-33(24,25)8/h18,22,24-28H,10-17,19H2,1-9H3/t22-,24-,25-,26+,27+,28-,31-,32+,33-/m0/s1
InChIKey: InChIKey=SLQJAJIVBWTJNQ-AEVQDKKCSA-N
Formula: C33H52O4
Molecular Weight: 512.764824
Exact Mass: 512.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsujimoto, K., Matsunaga, S. Phytochemistry (1999) 52, 1581-5
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)
Position | PPM |
---|---|
1 (CH2) | 33.5 |
2 (CH2) | 20.2 |
3 (CH) | 85.6 |
4 (C) | 38 |
5 (CH) | 50 |
6 (CH2) | 18.6 |
7 (CH2) | 44.7 |
8 (C) | 38.2 |
9 (CH) | 62.2 |
10 (C) | 38.1 |
11 (CH2) | 26.5 |
12 (CH2) | 25 |
13 (CH) | 58.8 |
14 (C) | 163.6 |
15 (CH) | 128.6 |
16 (C) | 200.4 |
17 (CH) | 59.7 |
18 (C) | 44.3 |
19 (CH2) | 32.2 |
20 (CH2) | 22.3 |
21 (CH) | 78.8 |
22 (C) | 35.9 |
23 (CH3) | 28.4 |
24 (CH3) | 22.5 |
25 (CH3) | 15.8 |
26 (CH3) | 20.2 |
27 (CH2) | 55.9 |
28 (CH3) | 14.7 |
29 (CH3) | 21.3 |
30 (CH3) | 27.6 |
3a (CH3) | 57.1 |
21a (C) | 170.5 |
21b (CH3) | 21.3 |