Gagunin K

Gagunin K

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)

Carbon NMR Peaks

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