(5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone

(5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone

Common Name: (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone

Synonyms: (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone

CAS Registry Number:

InChI: InChI=1S/C22H34O5/c1-14-13-17(27-15(2)23)18-20(3,4)9-6-10-21(18,5)22(14,25)11-7-16-8-12-26-19(16)24/h8,14,17-18,25H,6-7,9-13H2,1-5H3/t14-,17-,18+,21+,22-/m1/s1

InChIKey: InChIKey=FFOPQHZFBMZAKK-UJHQHGQKSA-N

Formula: C22H34O5

Molecular Weight: 378.5032

Exact Mass: 378.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ono, M., Yamamoto, M., Yanaka, T., Ito, Y., Nohara, T. Chem Pharm Bull (2001) 49, 82-6

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) 33.6
2 (CH2) 18.7
3 (CH2) 43.7
4 (C) 34
5 (CH) 47.5
6 (CH) 70.2
7 (CH2) 36.2
8 (CH) 31.9
9 (C) 76.6
10 (C) 43.8
11 (CH2) 32.2
12 (CH2) 22
13 (C) 135
14 (CH) 144
15 (CH2) 70.3
16 (C) 174.6
17 (CH3) 16.2
18 (CH3) 33.6
19 (CH3) 23.7
20 (CH3) 19
6a (C) 170.5
6b (CH3) 21.9