3 α,20-Dihydroxy-3 β,25-epoxylupane

3 α,20-Dihydroxy-3 β,25-epoxylupane

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)

Carbon NMR Peaks

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