(1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabella-3,7-dien-2,16,18-triol

(1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabella-3,7-dien-2,16,18-triol

Common Name: (1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabella-3,7-dien-2,16,18-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H42O7/c1-17-7-6-8-18(16-33-23(30)15-25(4,32)14-22(28)29)13-21(27)26(5)12-11-19(24(2,3)31)20(26)10-9-17/h7,13,19-21,27,31-32H,6,8-12,14-16H2,1-5H3,(H,28,29)/b17-7+,18-13-/t19-,20+,21+,25?,26+/m1/s1

InChIKey: InChIKey=UQWDHHVADPTEQB-CBQXRRJBSA-N

Formula: C26H42O7

Molecular Weight: 466.608479

Exact Mass: 466.293054

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mohamed, K.M., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1995) 39, 151-61

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) 51.1
2 (CH) 69.7
3 (CH) 134.3
4 (C) 134.3
5 (CH2) 34.9
6 (CH2) 24.4
7 (CH) 127.8
8 (C) 132.7
9 (CH2) 37.9
10 (CH2) 33.2
11 (CH) 39.9
12 (CH) 60.7
13 (CH2) 25.4
14 (CH2) 37.2
15 (CH3) 17.7
16 (CH2) 61.9
17 (CH3) 16.6
18 (C) 71.8
19 (CH3) 29.7
20 (CH3) 30.3
16a (C) 172.7
16b (CH2) 46.1
16c (C) 70.4
16d (CH2) 47.8
16e (C) 179.7
16f (CH3) 27.8