Common Name: Gagunin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H62O11/c1-11-15-19-30(44)48-34-31(22(5)6)32-25-20-23(7)33(45)35(46-24(8)40)36(49-28(42)17-13-3)38(25,9)21-26(47-27(41)16-12-2)39(32,10)37(34)50-29(43)18-14-4/h20,22,25-26,31-37,45H,11-19,21H2,1-10H3/t25-,26+,31-,32+,33+,34-,35+,36-,37+,38-,39+/m1/s1
InChIKey: InChIKey=INJPRTBCZDYGGA-KONRAZDYSA-N
Formula: C39H62O11
Molecular Weight: 706.904481
Exact Mass: 706.429213
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jang, K.H., Jeon, J.E., Ryu, S., Lee, H.S., Oh, K.B., Shin, J. J Nat Prod (2008) 71, 1701-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Homoverrucosanes; 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) | 36.5 |
2 (CH) | 137.3 |
3 (C) | 129.9 |
4 (CH) | 74.4 |
5 (CH) | 72.7 |
6 (CH) | 78 |
7 (C) | 44.7 |
8 (CH2) | 36.3 |
9 (CH) | 74 |
10 (C) | 47.5 |
11 (CH) | 78.8 |
12 (CH) | 80.5 |
13 (CH) | 52.5 |
14 (CH) | 53.3 |
15 (CH) | 23.7 |
16 (CH3) | 21.7 |
17 (CH3) | 23.5 |
18 (CH3) | 24 |
19 (CH3) | 14.2 |
20 (CH3) | 22.7 |
5a (C) | 170 |
5b (CH3) | 21.2 |
6a (C) | 172.4 |
6b (CH2) | 36.4 |
6c (CH2) | 18.4 |
6d (CH3) | 13.8 |
9a (C) | 173.4 |
9b (CH2) | 36.5 |
9c (CH2) | 18.5 |
9d (CH3) | 13.7 |
11a (C) | 170.7 |
11b (CH2) | 36.2 |
11c (CH2) | 18.5 |
11d (CH3) | 13.6 |
12a (C) | 172.7 |
12b (CH2) | 34.2 |
12c (CH2) | 27.1 |
12d (CH2) | 22.4 |
12e (CH3) | 13.8 |