(8alpha,9R,10beta,13Z)-2,15-Dioxo-16-hydroxy-15,16-epoxy-18-norcleroda-3,13-diene-20-oic acid methyl ester

(8alpha,9R,10beta,13Z)-2,15-Dioxo-16-hydroxy-15,16-epoxy-18-norcleroda-3,13-diene-20-oic acid methyl ester

Common Name: (8alpha,9R,10beta,13Z)-2,15-Dioxo-16-hydroxy-15,16-epoxy-18-norcleroda-3,13-diene-20-oic acid methyl ester

Synonyms: (8alpha,9R,10beta,13Z)-2,15-Dioxo-16-hydroxy-15,16-epoxy-18-norcleroda-3,13-diene-20-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-11-8-14(21)10-16-15(11)5-4-12(2)20(16,19(24)25-3)7-6-13-9-17(22)26-18(13)23/h8-9,12,15-16,18,23H,4-7,10H2,1-3H3/t12-,15-,16+,18?,20-/m1/s1

InChIKey: InChIKey=XQPLCKJGVRGFJU-FHWISKFASA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Puebla, P., Correa, S.X., Guerrero, M., Carron, R., San Feliciano, A. Chem Pharm Bull (2005) 53, 328-9

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) 37.3
2 (C) 199
3 (CH) 126
4 (C) 168.2
5 (CH) 38.9
6 (CH2) 21
7 (CH2) 27.4
8 (CH) 31.8
9 (C) 52
10 (CH) 38.5
11 (CH2) 33.7
12 (CH2) 22.6
13 (C) 165.8
14 (CH) 117.6
15 (C) 170.6
16 (CH) 98.8
17 (CH3) 18.2
18 (CH3) 22.8
20 (C) 174.6
20a (CH3) 51.6