(2α,5ξ,8α,9ξ,13α,16β)-16,17-Dihydroxy-3-oxokauran-2-yl 3-methyl-2-butenoate

(2α,5ξ,8α,9ξ,13α,16β)-16,17-Dihydroxy-3-oxokauran-2-yl 3-methyl-2-butenoate

Common Name: (2α,5ξ,8α,9ξ,13α,16β)-16,17-Dihydroxy-3-oxokauran-2-yl 3-methyl-2-butenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H38O5/c1-15(2)10-20(27)30-17-12-23(5)18(22(3,4)21(17)28)8-9-24-11-16(6-7-19(23)24)25(29,13-24)14-26/h10,16-19,26,29H,6-9,11-14H2,1-5H3/t16-,17-,18+,19-,23+,24+,25+/m1/s1

InChIKey: InChIKey=PFDDHGHYPYBSLT-CPDMMCATSA-N

Formula: C25H38O5

Molecular Weight: 418.567171

Exact Mass: 418.271924

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, G., Ruedi, P. Phytochemistry (1996) 41, 1563-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 44.3
2 (CH) 70.2
3 (C) 209.2
4 (C) 48.3
5 (CH) 55.7
6 (CH2) 19.3
7 (CH2) 40.4
8 (C) 43
9 (CH) 56.9
10 (C) 38.1
11 (CH2) 20.6
12 (CH2) 26.2
13 (CH) 43.4
14 (CH2) 48
15 (CH2) 44.4
16 (C) 84.2
17 (CH2) 65
18 (CH3) 24.8
19 (CH3) 21.2
20 (CH3) 15.1
2a (C) 165.3
2b (CH) 115.1
2c (C) 157.8
2ca (CH3) 20.1
2cb (CH3) 27.2