Casearin G

Casearin G

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)

Carbon NMR Peaks

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