Trametenolic acid

Trametenolic acid

Common Name: Trametenolic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1

InChIKey: InChIKey=NBSBUIQBEPROBM-GIICLEHTSA-N

Formula: C30H48O3

Molecular Weight: 456.701448

Exact Mass: 456.360345

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yoshikawa, K., Inoue, M., Matsumoto, Y., Sakakibara, C., Miyataka, H., Matsumoto, H., Arihara, S. J Nat Prod (2005) 68, 69-73

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) 36.1
2 (CH2) 28.7
3 (CH) 78
4 (C) 39.5
5 (CH) 50.9
6 (CH2) 18.7
7 (CH2) 26.6
8 (C) 134
9 (C) 134.6
10 (C) 37.4
11 (CH2) 21.3
12 (CH2) 29.4
13 (C) 44.9
14 (C) 49.9
15 (CH2) 30.9
16 (CH2) 27.5
17 (CH) 47.7
18 (CH3) 16.3
19 (CH3) 19.4
20 (CH) 49
21 (C) 178.6
22 (CH2) 33.3
23 (CH2) 26.7
24 (CH) 124.9
25 (C) 131.6
26 (CH3) 25.8
27 (CH3) 17.7
28 (CH3) 28.6
29 (CH3) 16.4
30 (CH3) 24.5