(4abeta)-5alpha,6alpha,8aalpha-Trimethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-methanol

(4abeta)-5alpha,6alpha,8aalpha-Trimethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-methanol

Common Name: (4abeta)-5alpha,6alpha,8aalpha-Trimethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-methanol

Synonyms: (4abeta)-5alpha,6alpha,8aalpha-Trimethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-methanol

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-15(10-13-21)8-11-19(3)16(2)9-12-20(4)17(14-22)6-5-7-18(19)20/h6,10,16,18,21-22H,5,7-9,11-14H2,1-4H3/b15-10+/t16-,18-,19+,20+/m1/s1

InChIKey: InChIKey=SJUBVOUDCYDWFH-UMIXGZEZSA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Yang, S.M., Wu, S.H., Qin, X.D., Luo, X.D., Wu, D.G. Helv Chim Acta (2004) 87, 1279-86

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 18.2
2 (CH2) 26.9
3 (CH) 120.5
4 (C) 144.4
5 (C) 38.6
6 (CH2) 36.9
7 (CH2) 27.4
8 (CH) 36.2
9 (C) 38.1
10 (CH) 46.3
11 (CH2) 36.7
12 (CH2) 29
13 (C) 144.7
14 (CH) 125.8
15 (CH2) 58.3
16 (CH3) 18
17 (CH3) 16
18 (CH2) 60.7
19 (CH3) 19.9
20 (CH3) 18.3