Common Name: (5alpha,8alpha,9S,10beta,13E)-19-Hydroxycleroda-3,13-dien-15-oic acid methyl ester
Synonyms: (5alpha,8alpha,9S,10beta,13E)-19-Hydroxycleroda-3,13-dien-15-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-15(13-19(23)24-5)9-11-20(3)16(2)10-12-21(4)17(14-22)7-6-8-18(20)21/h7,13,16,18,22H,6,8-12,14H2,1-5H3/b15-13+/t16-,18-,20+,21+/m1/s1
InChIKey: InChIKey=IAPLVECSZQBYTP-BENVCIHDSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Nabeta, K., Oohata, T., Ohkubo, S., Sato, T., Katoh, K. Phytochemistry (1996) 41, 581-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.5 |
2 (CH2) | 23.9 |
3 (CH) | 124.6 |
4 (C) | 143.4 |
5 (C) | 36.4 |
6 (CH2) | 37 |
7 (CH2) | 29.2 |
8 (CH) | 37.5 |
9 (C) | 40.3 |
10 (CH) | 45.5 |
11 (CH2) | 36.4 |
12 (CH2) | 34.5 |
13 (C) | 161.4 |
14 (CH) | 115.6 |
15 (C) | 167 |
16 (CH3) | 19.1 |
17 (CH3) | 17.4 |
18 (CH2) | 64.6 |
19 (CH3) | 35.1 |
20 (CH3) | 15.9 |
15a (CH3) | 50.5 |