Common Name: 2,3-Diacetoxy labda-8(17),12(E),14-triene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(25-16(4)23)18(24)13-22(17,19)7/h8-9,17-20,24H,1,3,10-13H2,2,4-7H3/b14-9+/t17-,18-,19?,20+,22+/m0/s1
InChIKey: InChIKey=LKMOGVWLLWEGRV-HEKOKMMYSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roengsumran S., Petsom A., Kuptiyanuwat N., Vilaivan T., Ngamrojnavanich N., Chaichantipyuth C., Phuthong S Phytochemistry (2001) 56, 103-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 46.3 |
2 (CH) | 67.8 |
3 (CH) | 84.5 |
4 (C) | 39.4 |
5 (CH) | 54.4 |
6 (CH2) | 23.5 |
7 (CH2) | 37.6 |
8 (C) | 146.9 |
9 (CH) | 56.6 |
10 (C) | 40.1 |
11 (CH2) | 23.3 |
12 (CH) | 133 |
13 (C) | 133.8 |
14 (CH) | 141.5 |
15 (CH2) | 110.2 |
16 (CH3) | 11.9 |
17 (CH2) | 108.8 |
18 (CH3) | 28.7 |
19 (CH3) | 17.5 |
20 (CH3) | 15.4 |
3a (C) | 172.4 |
3b (CH3) | 21.2 |