(5beta,9R,10alpha,12S)-12,16-Dihydroxy-15,16-epoxylabda-7,13-diene-15-one

(5beta,9R,10alpha,12S)-12,16-Dihydroxy-15,16-epoxylabda-7,13-diene-15-one

Common Name: (5beta,9R,10alpha,12S)-12,16-Dihydroxy-15,16-epoxylabda-7,13-diene-15-one

Synonyms: (5beta,9R,10alpha,12S)-12,16-Dihydroxy-15,16-epoxylabda-7,13-diene-15-one

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-12-6-7-16-19(2,3)8-5-9-20(16,4)14(12)11-15(21)13-10-17(22)24-18(13)23/h6,10,14-16,18,21,23H,5,7-9,11H2,1-4H3/t14-,15+,16-,18?,20+/m1/s1

InChIKey: InChIKey=YKNBAYWGOSCBRV-DHQSORIOSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Zani, C.L., Alves, T.M., Queiroz, R., Fontes, E.S., Shin, Y.G., Cordell, G.A. Phytochemistry (2000) 53, 877-80

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39.6
2 (CH2) 18.9
3 (CH2) 42.3
4 (C) 32.9
5 (CH) 50.4
6 (CH2) 24.3
7 (CH) 122.8
8 (C) 135.3
9 (CH) 51.9
10 (C) 37.5
11 (CH2) 33.2
12 (CH) 69.9
13 (C) 171.7
14 (CH) 117
15 (C) 175.4
16 (CH) 99.2
17 (CH3) 23.2
18 (CH3) 21.8
19 (CH3) 32.9
20 (CH3) 13.9