Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-26(2)22-17-25-31(34-25)18-28(5)14-11-19-27(3,4)24(33-8)13-16-29(19,6)20(28)9-10-21(31)30(22,7)15-12-23(26)32/h19-25,32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,25+,28-,29-,30+,31-/m0/s1
InChIKey: InChIKey=JLVFUOJSDNKDRR-AMPXSFLISA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhou, H., Jiang, S.H., Tan, C.H., Wang, B.D., Zhu, D.Y. Planta Med (2003) 69, 91-4
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) | 38.5 |
2 (CH2) | 22.3 |
3 (CH) | 88.5 |
4 (C) | 38.9 |
5 (CH) | 56.2 |
6 (CH2) | 18.4 |
7 (CH2) | 44.8 |
8 (C) | 39.1 |
9 (CH) | 63.4 |
10 (C) | 38.1 |
11 (CH2) | 25.4 |
12 (CH2) | 27.1 |
13 (CH) | 56.7 |
14 (C) | 61.3 |
15 (CH) | 59.3 |
16 (CH2) | 22.8 |
17 (CH) | 38 |
18 (C) | 35.2 |
19 (CH2) | 31.8 |
20 (CH2) | 25.1 |
21 (CH) | 75.7 |
22 (C) | 37.1 |
23 (CH3) | 28.1 |
24 (CH3) | 16.1 |
25 (CH3) | 16.3 |
26 (CH3) | 20.4 |
27 (CH2) | 55.4 |
28 (CH3) | 14.8 |
29 (CH3) | 22.9 |
30 (CH3) | 27.8 |
3a (CH3) | 57.5 |