Common Name: (1S)-1,5,6alpha-Trimethyl-5beta-[(S)-3-methyl-3-hydroxy-4-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester
Synonyms: (1S)-1,5,6alpha-Trimethyl-5beta-[(S)-3-methyl-3-hydroxy-4-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carboxylic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-7-19(3,23)13-14-20(4)15(2)10-11-17-16(20)9-8-12-21(17,5)18(22)24-6/h7,9,15,17,23H,1,8,10-14H2,2-6H3/t15-,17+,19-,20+,21+/m1/s1
InChIKey: InChIKey=FKEHBVIANKGSMS-FVJLHALJSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdel-Kader, M., Berger, J.M., Slebodnick, C., Hoch, J., Malone, S., Wisse, J.H., Werkhoven, M.C., Mamber, S., Kingston, D.G. J Nat Prod (2002) 65, 11-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) | 119.8 |
2 (CH2) | 23.3 |
3 (CH2) | 29.7 |
4 (C) | 45 |
5 (CH) | 37.8 |
6 (CH2) | 23.7 |
7 (CH2) | 28.8 |
8 (CH) | 39.6 |
9 (C) | 43.3 |
10 (C) | 141.9 |
11 (CH2) | 32.2 |
12 (CH2) | 36.6 |
13 (C) | 72.7 |
14 (CH) | 144.4 |
15 (CH2) | 111.4 |
16 (CH3) | 29.7 |
17 (CH3) | 15.5 |
18 (CH3) | 22.1 |
19 (C) | 178.8 |
20 (CH3) | 22.4 |
19a (CH3) | 51.9 |