(1S)-alpha-Methylene-1beta,3beta,6alpha-trihydroxy-3,8alpha-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-5alpha-acetic acid 5,6-lactone

(1S)-alpha-Methylene-1beta,3beta,6alpha-trihydroxy-3,8alpha-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-5alpha-acetic acid 5,6-lactone

Common Name: (1S)-alpha-Methylene-1beta,3beta,6alpha-trihydroxy-3,8alpha-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-5alpha-acetic acid 5,6-lactone

Synonyms: (1S)-alpha-Methylene-1beta,3beta,6alpha-trihydroxy-3,8alpha-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-5alpha-acetic acid 5,6-lactone

CAS Registry Number:

InChI: InChI=1S/C15H20O4/c1-7-4-12-9(8(2)14(17)19-12)5-10-13(7)11(16)6-15(10,3)18/h7,9,11-12,16,18H,2,4-6H2,1,3H3/t7-,9+,11-,12+,15+/m0/s1

InChIKey: InChIKey=GJZRCZNNCFCMSY-CEGJCCPISA-N

Formula: C15H20O4

Molecular Weight: 264.317473

Exact Mass: 264.136159

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Stavri, M., Mathew, K.T., Gordon, A., Shnyder, S.D., Falconer, R.A., Gibbons, S. Phytochemistry (2008) 69, 1915-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 140.8
2 (CH) 87.4
3 (CH2) 46
4 (C) 81.6
5 (C) 144.9
6 (CH2) 25.5
7 (CH) 44.1
8 (CH) 81.5
9 (CH2) 37.2
10 (CH) 31
11 (C) 141.6
12 (C) 172
13 (CH2) 123.1
14 (CH3) 20.6
15 (CH3) 27