ent-1β-Acetoxydolabr-4(18)-en-11β,15ξ,16-triol

ent-1β-Acetoxydolabr-4(18)-en-11β,15ξ,16-triol

Common Name: ent-1β-Acetoxydolabr-4(18)-en-11β,15ξ,16-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O5/c1-15-8-9-18(29-16(2)26)21-24(15,6)11-10-17-12-23(5,13-19(27)25(17,21)7)20-14-28-22(3,4)30-20/h17-21,27H,1,8-14H2,2-7H3/t17-,18-,19+,20-,21-,23+,24-,25+/m0/s1

InChIKey: InChIKey=YDYDFRWJHOUNEX-BKNIMKLFSA-N

Formula: C25H40O5

Molecular Weight: 420.583052

Exact Mass: 420.287574

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 (CH) 75.5
2 (CH2) 33.4
3 (CH2) 28.4
4 (C) 159.7
5 (C) 41.3
6 (CH2) 39.5
7 (CH2) 25.8
8 (CH) 42
9 (C) 44.1
10 (CH) 57.8
11 (CH) 73.4
12 (CH2) 39.2
13 (C) 36.2
14 (CH2) 35.7
15 (CH) 84.1
16 (CH2) 64.5
17 (CH3) 20.3
18 (CH2) 103.3
19 (CH3) 24.6
20 (CH3) 8.9
1a (C) 170.3
1b (CH3) 21.8
15a (C) 108.7
15b (CH3) 25.1
15c (CH3) 25.1