Common Name: (6S,10aS)-7-[2-[(2-Oxo-2,5-dihydrofuran)-3-yl]ethyl]-6,6abeta,7,8,9,10-hexahydro-6alpha,9alpha-dihydroxy-7alpha,8alpha-dimethylnaphtho[1,8a-c]furan-3(5H)-one
Synonyms: (6S,10aS)-7-[2-[(2-Oxo-2,5-dihydrofuran)-3-yl]ethyl]-6,6abeta,7,8,9,10-hexahydro-6alpha,9alpha-dihydroxy-7alpha,8alpha-dimethylnaphtho[1,8a-c]furan-3(5H)-one
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-11-15(22)9-20-10-26-18(24)13(20)3-4-14(21)16(20)19(11,2)7-5-12-6-8-25-17(12)23/h3,6,11,14-16,21-22H,4-5,7-10H2,1-2H3/t11-,14+,15-,16-,19+,20-/m1/s1
InChIKey: InChIKey=IGDQPUUEAFSFMX-GYDJTEOTSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cenal, J.P., Giordano, O.S., Rossomando, P.C., Tonn, C.E. J Nat Prod (1997) 60, 490-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH) | 63 |
2 (CH2) | 35.8 |
3 (CH) | 130.1 |
4 (C) | 137.5 |
5 (C) | 38.7 |
6 (CH2) | 41.4 |
7 (CH) | 71.7 |
8 (CH) | 50 |
9 (C) | 44.3 |
10 (CH) | 41.2 |
11 (CH2) | 36.5 |
12 (CH2) | 18.9 |
13 (C) | 133.7 |
14 (CH) | 144.8 |
15 (CH2) | 74.8 |
16 (C) | 174.9 |
17 (CH3) | 11.3 |
18 (C) | 171.5 |
19 (CH2) | 70.5 |
20 (CH3) | 19.7 |