(5alpha,8alpha,9S,10beta,13E)-19-Hydroxycleroda-3,13-dien-15-oic acid methyl ester

(5alpha,8alpha,9S,10beta,13E)-19-Hydroxycleroda-3,13-dien-15-oic acid methyl ester

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: CDCl3

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)

Carbon NMR Peaks

Position PPM
1 (CH2) 17.2
2 (CH2) 23.7
3 (CH) 124.9
4 (C) 143.1
5 (C) 36.1
6 (CH2) 36.7
7 (CH2) 28.4
8 (CH) 37.4
9 (C) 40.1
10 (CH) 45.2
11 (CH2) 36.2
12 (CH2) 34.3
13 (C) 161.7
14 (CH) 114.8
15 (C) 167.3
16 (CH3) 19.1
17 (CH3) 17.3
18 (CH2) 64.7
19 (CH3) 35
20 (CH3) 15.8
15a (CH3) 50.8