ent-5a,2,15-Dioxodolubr-3-ene-3,16-diol

ent-5a,2,15-Dioxodolubr-3-ene-3,16-diol

Common Name: ent-5a,2,15-Dioxodolubr-3-ene-3,16-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H34O6/c1-14-21(30-16(3)26)18(27)11-19-23(14,5)8-7-17-12-22(4,9-10-24(17,19)6)20(28)13-29-15(2)25/h17,19H,7-13H2,1-6H3/t17-,19-,22-,23+,24-/m0/s1

InChIKey: InChIKey=SGRGPZQWNLCCOM-QHIBWTPPSA-N

Formula: C24H34O6

Molecular Weight: 418.524077

Exact Mass: 418.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kijjoa, A., Polonia, M.A., Pinto, M.M.M., Kitiratakarn, T., Gedris, T.E., Herz, W. Phytochemistry (1994) 37, 197-200

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) 37.4
2 (C) 189.7
3 (C) 142.9
4 (C) 152.9
5 (C) 40
6 (CH2) 34.7
7 (CH2) 26.4
8 (CH) 40.8
9 (C) 37.7
10 (CH) 53.9
11 (CH2) 34.6
12 (CH2) 27
13 (C) 45.9
14 (CH2) 33.1
15 (C) 207.6
16 (CH2) 64.4
17 (CH3) 20.5
18 (CH3) 13.6
19 (CH3) 32.2
20 (CH3) 12.8
3a (C) 170.3
3b (CH3) 20.4
16a (C) 168.4
16b (CH3) 20.2