15-Tetrahydropyranyloxy-ent-halima-1(10),13Edien-18-ol

15-Tetrahydropyranyloxy-ent-halima-1(10),13Edien-18-ol

Common Name: 15-Tetrahydropyranyloxy-ent-halima-1(10),13Edien-18-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H42O3/c1-19(13-17-28-23-9-5-6-16-27-23)12-15-25(4)20(2)10-11-21-22(25)8-7-14-24(21,3)18-26/h8,13,20-21,23,26H,5-7,9-12,14-18H2,1-4H3/b19-13+/t20-,21+,23?,24-,25+/m1/s1

InChIKey: InChIKey=VWUHXYYIVADEJX-CQOKBXIXSA-N

Formula: C25H42O3

Molecular Weight: 390.600124

Exact Mass: 390.313395

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Garcia, N., Sexmero, M.J., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2005) 61, 11672-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) 120
2 (CH2) 22.6
3 (CH2) 29
4 (C) 36.5
5 (CH) 37.8
6 (CH2) 23.3
7 (CH2) 28.6
8 (CH) 39
9 (C) 43
10 (C) 141.5
11 (CH2) 37.5
12 (CH2) 34.4
13 (C) 141.2
14 (CH) 120.2
15 (CH2) 63.8
16 (CH3) 16.6
17 (CH3) 15.6
18 (CH2) 69.6
19 (CH3) 20.6
20 (CH3) 22.3
1' (CH) 97.9
2' (CH2) 30.7
3' (CH2) 25.5
4' (CH2) 19.6
5' (CH2) 62.2