Casearlucin G

Casearlucin G

Common Name: Casearlucin G

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H42O7/c1-9-17(3)11-13-28(8)19(5)12-14-29-23(26(33-20(6)30)36-27(29)34-21(7)31)15-22(16-24(28)29)35-25(32)18(4)10-2/h9,11,15,18-19,22,24,26-27H,1,10,12-14,16H2,2-8H3/b17-11+/t18?,19-,22-,24+,26+,27?,28-,29-/m0/s1

InChIKey: InChIKey=SPOXAGODQDGSAM-JNYNAEJOSA-N

Formula: C29H42O7

Molecular Weight: 502.640687

Exact Mass: 502.293054

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sai Prakash, C.V., Hoch, J.M., Kingston, D.G. J Nat Prod (2002) 65, 100-7

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) 25.8
2 (CH) 71.1
3 (CH) 123.2
4 (C) 145.7
5 (C) 49.2
6 (CH2) 30.6
7 (CH2) 27.8
8 (CH) 36.7
9 (C) 38.3
10 (CH) 39.1
11 (CH2) 30.2
12 (CH) 128.9
13 (C) 135.8
14 (CH) 141.4
15 (CH2) 111
16 (CH3) 12.1
17 (CH3) 15.7
18 (CH) 94.2
19 (CH) 98.5
20 (CH3) 25.7
2a (C) 176.1
2b (CH) 41.4
2c (CH2) 27
2d (CH3) 11.7
2ba (CH3) 16.7
18a (C) 170.6
18b (CH3) 21.6
19a (C) 169.8
19b (CH3) 21.4