(rel 5S,6R,8R,9R,10S,13S,15S)-6-Acetoxy-9,13;15,16-diepoxy-15-methoxylabdane

(rel 5S,6R,8R,9R,10S,13S,15S)-6-Acetoxy-9,13;15,16-diepoxy-15-methoxylabdane

Common Name: (rel 5S,6R,8R,9R,10S,13S,15S)-6-Acetoxy-9,13;15,16-diepoxy-15-methoxylabdane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H38O5/c1-15-12-17(27-16(2)24)19-20(3,4)8-7-9-21(19,5)23(15)11-10-22(28-23)13-18(25-6)26-14-22/h15,17-19H,7-14H2,1-6H3/t15-,17-,18+,19+,21+,22+,23-/m1/s1

InChIKey: InChIKey=FZZTZQBZRHIDKL-HDBUIXBASA-N

Formula: C23H38O5

Molecular Weight: 394.545699

Exact Mass: 394.271924

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ono, M., Yamamoto, M., Masuoka, C., Ito, Y., Yamashita, M., Nohara, T. J Nat Prod (1999) 62, 1532-7

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) 33.1
2 (CH2) 18.8
3 (CH2) 43.9
4 (C) 34.1
5 (CH) 48.7
6 (CH) 70.8
7 (CH2) 36.4
8 (CH) 31.6
9 (C) 91.7
10 (C) 42.9
11 (CH2) 29.6
12 (CH2) 39.7
13 (C) 89.3
14 (CH2) 46.6
15 (CH) 104.4
16 (CH2) 74.7
17 (CH3) 17.2
18 (CH3) 33.1
19 (CH3) 23.8
20 (CH3) 19.6
6a (C) 170.5
6b (CH3) 22
15a (CH3) 55