Wilforol A

Wilforol A

Common Name: Wilforol A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H38O5/c1-16-22-17(13-19(31)23(16)32)27(4)10-12-29(6)21-15-26(3,24(33)34)8-7-25(21,2)9-11-28(29,5)20(27)14-18(22)30/h13-14,21,31-32H,7-12,15H2,1-6H3,(H,33,34)/t21-,25-,26-,27+,28-,29+/m1/s1

InChIKey: InChIKey=MIQDJLKXHZPMHH-CPISFEQASA-N

Formula: C29H38O5

Molecular Weight: 466.610114

Exact Mass: 466.271924

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Takaishi, Y., Wariishi, N., Tateishi, H., Kawazoe, K., Nakano, K., Ono, Y., Tokuda, H., Nishino, H., Iwashima, A. Phytochemistry (1997) 45, 969-74

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) 109.7
2 (C) 151.2
3 (C) 143.9
4 (C) 126.6
5 (C) 122.6
6 (C) 187.3
7 (CH) 126.7
8 (C) 170.5
9 (C) 40.2
10 (C) 150.6
11 (CH2) 34.6
12 (CH2) 30.2
13 (C) 39.5
14 (C) 44.7
15 (CH2) 29
16 (CH2) 36.8
17 (C) 30.8
18 (CH) 44.6
19 (CH2) 31.2
20 (C) 40.5
21 (CH2) 30.4
22 (CH2) 35.5
23 (CH3) 14.8
25 (CH3) 37.8
26 (CH3) 21.1
27 (CH3) 18.8
28 (CH3) 31.7
29 (C) 181
30 (CH3) 33.2