Common Name: Casearin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O8/c1-9-11-25(32)36-23-16-29-22(26(34-19(5)30)37-27(29)35-20(6)31)14-21(33-8)15-24(29)28(7,18(23)4)13-12-17(3)10-2/h10,12,14,18,21,23-24,26-27H,2,9,11,13,15-16H2,1,3-8H3/b17-12-/t18-,21-,23+,24+,26+,27-,28-,29-/m1/s1
InChIKey: InChIKey=LIVDKPZTNKXCNI-NEMUSHICSA-N
Formula: C29H42O8
Molecular Weight: 518.640092
Exact Mass: 518.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Carvalho, P.R.F., Furlan, M., Young, M.C.M., Kingston, D.G.I., Bolzani, V.D. Phytochemistry (1998) 49, 1659-62
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) | 24.6 |
2 (CH) | 72.7 |
3 (CH) | 122.7 |
4 (C) | 144.2 |
5 (C) | 49.7 |
6 (CH2) | 34.2 |
7 (CH) | 71.4 |
8 (CH) | 41 |
9 (C) | 39.5 |
10 (CH) | 33.9 |
11 (CH2) | 30.3 |
12 (CH) | 125.9 |
13 (C) | 133.8 |
14 (CH) | 133.4 |
15 (CH2) | 114.4 |
16 (CH3) | 20.2 |
17 (CH3) | 10.7 |
18 (CH) | 94.5 |
19 (CH) | 99.1 |
20 (CH3) | 25.7 |
2a (CH3) | 56.9 |
7a (C) | 172.7 |
7b (CH2) | 36.4 |
7c (CH2) | 18.5 |
7d (CH3) | 13.7 |
18a (C) | 169.2 |
18b (CH3) | 21.2 |
19a (C) | 170.4 |
19b (CH3) | 20.9 |