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)
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 |