(5beta,8S,9alpha,10alpha,13S)-8,13-Epoxylabd-14-ene-6beta,19-diol diacetate

(5beta,8S,9alpha,10alpha,13S)-8,13-Epoxylabd-14-ene-6beta,19-diol diacetate

Common Name: (5beta,8S,9alpha,10alpha,13S)-8,13-Epoxylabd-14-ene-6beta,19-diol diacetate

Synonyms: (5beta,8S,9alpha,10alpha,13S)-8,13-Epoxylabd-14-ene-6beta,19-diol diacetate

CAS Registry Number:

InChI: InChI=1S/C24H38O5/c1-8-22(5)13-10-19-23(6)12-9-11-21(4,15-27-16(2)25)20(23)18(28-17(3)26)14-24(19,7)29-22/h8,18-20H,1,9-15H2,2-7H3/t18-,19+,20-,21-,22-,23+,24+/m1/s1

InChIKey: InChIKey=BRXZXQIEEQCORU-SVQHGHLLSA-N

Formula: C24H38O5

Molecular Weight: 406.556435

Exact Mass: 406.271924

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Gutierrez, J.J., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1997) 45, 283-91

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) 38.3
2 (CH2) 17.4
3 (CH2) 36.9
4 (C) 37.7
5 (CH) 52.3
6 (CH) 70.6
7 (CH2) 49.5
8 (C) 74
9 (CH) 54.8
10 (C) 36.4
11 (CH2) 15.5
12 (CH2) 35
13 (C) 73.5
14 (CH) 147.5
15 (CH2) 110.5
16 (CH3) 28.9
17 (CH3) 26.7
18 (CH2) 74.3
19 (CH3) 17.8
20 (CH3) 16.8
6a (C) 171.2
6b (CH3) 21.7
18a (C) 170.2
18b (CH3) 21.1