(1S,3aS,4aR,5R,8S,8aR,10aS)-1,2,3,3a,4,4a,5,8,8a,10a-Decahydro-1-isopropyl-1,5,8-trihydroxy-3a,5,8a-trimethylbenz[f]azulen-9(10H)-one

(1S,3aS,4aR,5R,8S,8aR,10aS)-1,2,3,3a,4,4a,5,8,8a,10a-Decahydro-1-isopropyl-1,5,8-trihydroxy-3a,5,8a-trimethylbenz[f]azulen-9(10H)-one

Common Name: (1S,3aS,4aR,5R,8S,8aR,10aS)-1,2,3,3a,4,4a,5,8,8a,10a-Decahydro-1-isopropyl-1,5,8-trihydroxy-3a,5,8a-trimethylbenz[f]azulen-9(10H)-one

Synonyms: (1S,3aS,4aR,5R,8S,8aR,10aS)-1,2,3,3a,4,4a,5,8,8a,10a-Decahydro-1-isopropyl-1,5,8-trihydroxy-3a,5,8a-trimethylbenz[f]azulen-9(10H)-one

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-12(2)20(24)9-8-17(3)11-14-18(4,23)7-6-15(21)19(14,5)16(22)10-13(17)20/h6-7,12-15,21,23-24H,8-11H2,1-5H3/t13-,14-,15-,17-,18+,19+,20-/m0/s1

InChIKey: InChIKey=GSRGIDTZMFYSKP-XQIDNCIUSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Rao, C.B., Trimurtulu, G., Sreedhara, C., Rao, D.V., Bobzin, S.C., Faulkner, D.J. Phytochemistry (1994) 37, 509-13

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolastanes; 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) 70
2 (CH) 137.4
3 (CH) 123.8
4 (CH) 72.4
5 (C) 53.9
6 (C) 215.9
7 (CH2) 39.8
8 (CH) 49.5
9 (C) 83.3
10 (CH2) 34
11 (CH2) 39.7
12 (C) 42.9
13 (CH2) 38.1
14 (CH) 38.2
15 (CH3) 21.8
16 (CH3) 15.9
17 (CH) 36
18 (CH3) 16.2
19 (CH3) 17.1
20 (CH3) 17.5