Common Name: 3 α,20-Dihydroxy-3 β,25-epoxylupane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-24(2)21-11-13-28(7)22(29(21)16-17-30(24,32)33-18-29)9-8-20-23-19(25(3,4)31)10-12-26(23,5)14-15-27(20,28)6/h19-23,31-32H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,26-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=VOBKGUCJBJCPIW-YDYDTRIUSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Schmidt, J., Porzel, A., Adam, G. Phytochemistry (1998) 49, 2049-51
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 35.1 |
2 (CH2) | 29.6 |
3 (C) | 98.2 |
4 (C) | 40.3 |
5 (CH) | 49.7 |
6 (CH2) | 19.7 |
7 (CH2) | 32.3 |
8 (C) | 40.2 |
9 (CH) | 44.9 |
10 (C) | 35.4 |
11 (CH2) | 22.7 |
12 (CH2) | 29.2 |
13 (CH) | 37.7 |
14 (C) | 43.2 |
15 (CH2) | 27.5 |
16 (CH2) | 35.4 |
17 (C) | 44.6 |
18 (CH) | 48.1 |
19 (CH) | 49.7 |
20 (C) | 73.5 |
21 (CH2) | 28.7 |
22 (CH2) | 40.2 |
23 (CH3) | 26.9 |
24 (CH3) | 18.3 |
25 (CH2) | 68 |
26 (CH3) | 16.7 |
27 (CH3) | 14.5 |
28 (CH3) | 19.2 |
29 (CH3) | 31.6 |
30 (CH3) | 24.7 |