ent-Dolabr-4(18)-ene-7α,15S,16-triol

ent-Dolabr-4(18)-ene-7α,15S,16-triol

Common Name: ent-Dolabr-4(18)-ene-7α,15S,16-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O4/c1-16-9-8-10-20-24(6)12-11-23(5,21-15-27-22(3,4)29-21)13-18(24)19(28-17(2)26)14-25(16,20)7/h18-21H,1,8-15H2,2-7H3/t18-,19+,20-,21+,23+,24+,25+/m1/s1

InChIKey: InChIKey=JVZPVXUFFWOESD-OAQZPGQPSA-N

Formula: C25H40O4

Molecular Weight: 404.583647

Exact Mass: 404.29266

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 945-52

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabranes; 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) 21.2
2 (CH2) 28.5
3 (CH2) 35.2
4 (C) 159.2
5 (C) 41.2
6 (CH2) 43.7
7 (CH) 71.7
8 (CH) 46.3
9 (C) 38.4
10 (CH) 56
11 (CH2) 32.6
12 (CH2) 28.3
13 (C) 35.2
14 (CH2) 29.3
15 (CH) 84.6
16 (CH2) 64.7
17 (CH3) 19.8
18 (CH2) 102.5
19 (CH3) 21.3
20 (CH3) 13.5
7a (C) 170.7
7b (CH3) 22.3
15a (C) 108.6
15b (CH3) 25.1
15c (CH3) 26.3