Common Name: [(2R,2'S,3S,4S,4aS,5'R,7R,8S,8aR)-5'-(furan-3-yl)-7,8-dihydroxy-2'-methoxy-3,8,8a-trimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2-yl] acetate
Synonyms: [(2R,2'S,3S,4S,4aS,5'R,7R,8S,8aR)-5'-(furan-3-yl)-7,8-dihydroxy-2'-methoxy-3,8,8a-trimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2-yl] acetate
CAS Registry Number:
InChI: InChI=1S/C23H34O7/c1-13-16(29-14(2)24)10-21(3)18(6-7-19(25)22(21,4)26)23(13)11-17(30-20(23)27-5)15-8-9-28-12-15/h8-9,12-13,16-20,25-26H,6-7,10-11H2,1-5H3/t13-,16-,17-,18+,19-,20+,21-,22-,23-/m1/s1
InChIKey: InChIKey=QKNYLJSOBMZFPQ-NPRXTFJLSA-N
Formula: C23H34O7
Molecular Weight: 422.512746
Exact Mass: 422.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vigor, C., Fabre, N., Fouraste, I., Moulis, C. J Nat Prod (2002) 65, 1180-2
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 (CH2) | 19.3 |
2 (CH2) | 31.5 |
3 (CH) | 77.2 |
4 (C) | 75.9 |
5 (C) | 41.4 |
6 (CH2) | 36.7 |
7 (CH) | 76.1 |
8 (CH) | 45.5 |
9 (C) | 54.1 |
10 (CH) | 45.8 |
11 (CH2) | 43.3 |
12 (CH) | 71.6 |
13 (C) | 129.9 |
14 (CH) | 110 |
15 (CH) | 143.6 |
16 (CH) | 139.7 |
17 (CH3) | 15.3 |
18 (CH3) | 22 |
19 (CH3) | 19.4 |
20 (CH) | 108.1 |
7a (C) | 170.8 |
7b (CH3) | 21.7 |
20a (CH3) | 54.2 |