Labda-8(20),13-diene-7alpha,15-diol diacetate

Labda-8(20),13-diene-7alpha,15-diol diacetate

Common Name: Labda-8(20),13-diene-7alpha,15-diol diacetate

Synonyms: Labda-8(20),13-diene-7alpha,15-diol diacetate

CAS Registry Number:

InChI: InChI=1S/C24H38O4/c1-16(11-14-27-18(3)25)9-10-20-17(2)21(28-19(4)26)15-22-23(5,6)12-8-13-24(20,22)7/h11,20-22H,2,8-10,12-15H2,1,3-7H3/b16-11+/t20-,21+,22-,24+/m0/s1

InChIKey: InChIKey=KNTOFVMVMOOLLQ-RLBDBNPBSA-N

Formula: C24H38O4

Molecular Weight: 390.55703

Exact Mass: 390.27701

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Diez, D., Garrido, N.M., Alonso, C., Oliva, I.M., Lithgow, A.M., Moro, R.F., Sexmero, M.J., Lopez, C. Phytochemistry (1994) 35, 713-9

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) 39.5
2 (CH2) 19.4
3 (CH2) 42.2
4 (C) 33.3
5 (CH) 48.9
6 (CH2) 21.1
7 (CH) 76.4
8 (C) 142.5
9 (CH) 51.3
10 (C) 37.8
11 (CH2) 29.1
12 (CH2) 38.8
13 (C) 145.2
14 (CH) 118.6
15 (CH2) 61.4
16 (CH3) 16.6
17 (CH2) 112.1
18 (CH3) 33.1
19 (CH3) 21.4
20 (CH3) 13.7
7a (C) 170.1
7b (CH3) 21.2
15a (C) 170.4
15b (CH3) 21