(1R*, 2R*, 3E, 7R*, 8S*, 9R*, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabell-3-en-2,7,16,18-tetrol

(1R*, 2R*, 3E, 7R*, 8S*, 9R*, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabell-3-en-2,7,16,18-tetrol

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O5/c1-18(2,24)13-7-8-19(3)14(13)10-17-20(4,25-17)15(22)6-5-12(11-21)9-16(19)23/h9,13-17,21-24H,5-8,10-11H2,1-4H3/b12-9-/t13-,14+,15-,16+,17-,19+,20-/m1/s1

InChIKey: InChIKey=MJGAXMUNCRMGIA-DVLCBPHESA-N

Formula: C20H34O5

Molecular Weight: 354.481728

Exact Mass: 354.240624

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) 50.3
2 (CH) 73.2
3 (CH) 130.2
4 (C) 140.2
5 (CH2) 34.9
6 (CH2) 32.3
7 (CH) 81.5
8 (C) 65
9 (CH) 63.8
10 (CH2) 33.5
11 (CH) 43.1
12 (CH) 59.4
13 (CH2) 27.4
14 (CH2) 40.8
15 (CH3) 17.4
16 (CH2) 58.9
17 (CH3) 11.5
18 (C) 72.2
19 (CH3) 25.6
20 (CH3) 31.8