Common Name: (1S,3S,4S,7S,8S,11S,12R)-(+)-3,4:7,8-Diepoxiverticillan-12-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(2)13-6-9-18(3,21)14(17)7-10-19(4)15(22-19)8-11-20(5)16(12-13)23-20/h13-16,21H,6-12H2,1-5H3/t13-,14-,15-,16-,18+,19-,20-/m0/s1
InChIKey: InChIKey=QAKDMKNAZDPAHI-HIQFCVFCSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cerda-Garcia-Rojas, C.M., Garcia-Gutierrez, H.A., Hernandez-Hernandez, J.D., Roman-Marin, L.U., Joseph-Nathan, P. J Nat Prod (2007) 70, 1167-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) | 42.7 |
2 (CH2) | 34.6 |
3 (CH) | 64.3 |
4 (C) | 63 |
5 (CH2) | 38.1 |
6 (CH2) | 23.8 |
7 (CH) | 66.4 |
8 (C) | 61.5 |
9 (CH2) | 40 |
10 (CH2) | 20.5 |
11 (CH) | 45.4 |
12 (C) | 72.8 |
13 (CH2) | 39 |
14 (CH2) | 26.2 |
15 (C) | 36.7 |
16 (CH3) | 25.3 |
17 (CH3) | 30.5 |
18 (CH3) | 32.9 |
19 (CH3) | 16.8 |
20 (CH3) | 15.9 |