ent-Dolabr-4(18)-en-11β,15ξ,16-triol

ent-Dolabr-4(18)-en-11β,15ξ,16-triol

Common Name: ent-Dolabr-4(18)-en-11β,15ξ,16-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O6/c1-16-9-8-10-21-25(16,6)12-11-20-13-24(5,14-22(26(20,21)7)31-18(3)28)23(32-19(4)29)15-30-17(2)27/h20-23H,1,8-15H2,2-7H3/t20-,21-,22+,23?,24+,25-,26-/m0/s1

InChIKey: InChIKey=ORXUENBNVOSNOA-TZLYLQPGSA-N

Formula: C26H40O6

Molecular Weight: 448.593193

Exact Mass: 448.282489

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 953-9

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) 23.8
2 (CH2) 28.6
3 (CH2) 35.3
4 (C) 159.7
5 (C) 41
6 (CH2) 37.6
7 (CH2) 25.5
8 (CH) 41
9 (C) 42
10 (CH) 55.8
11 (CH) 78.2
12 (CH2) 32.7
13 (C) 37
14 (CH2) 36.6
15 (CH) 79.4
16 (CH2) 62.8
17 (CH3) 20
18 (CH2) 102.7
19 (CH3) 21.7
20 (CH3) 9
11a (C) 170.1
11b (CH3) 20.7
15a (C) 170.1
15b (CH3) 20.8
16a (C) 170.5
16b (CH3) 21.7