(1R*, 2R*, 3E, 11R*, 12S*)-2-O-Acetyl-16-O-(3-hy-droxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one

(1R*, 2R*, 3E, 11R*, 12S*)-2-O-Acetyl-16-O-(3-hy-droxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one

Common Name: (1R*, 2R*, 3E, 11R*, 12S*)-2-O-Acetyl-16-O-(3-hy-droxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-13-5-7-16-15(19(2,3)24)9-10-20(16,4)18(23)11-14(12-21)6-8-17(13)22/h11,15-16,18,21,23-24H,1,5-10,12H2,2-4H3/b14-11-/t15-,16+,18+,20+/m1/s1

InChIKey: InChIKey=NNIWLIMFRXUNHT-KFGAZEFKSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

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) 50.9
2 (CH) 73.7
3 (CH) 130
4 (C) 138.9
5 (CH2) 28.8
6 (CH2) 35.3
7 (C) 206.6
8 (C) 150.9
9 (CH2) 35.5
10 (CH2) 32.2
11 (CH) 41.5
12 (CH) 60.2
13 (CH2) 27.5
14 (CH2) 41.3
15 (CH3) 15.8
16 (CH2) 59.3
17 (CH2) 125.6
18 (C) 72
19 (CH3) 26.8
20 (CH3) 31.9