Casearlucin J

Casearlucin J

Common Name: Casearlucin J

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16?,17-,20-,22+,23+,24+,26+,27?,28-,29-/m0/s1

InChIKey: InChIKey=FVXRSGIAXHNGNZ-LGEHZHRFSA-N

Formula: C29H42O9

Molecular Weight: 534.639497

Exact Mass: 534.282883

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) 26.3
2 (CH) 70.6
3 (CH) 124.5
4 (C) 144.2
5 (C) 53.9
6 (CH) 74.6
7 (CH2) 37.5
8 (CH) 37.9
9 (C) 39.2
10 (CH) 44.8
11 (CH2) 38.8
12 (CH) 67.4
13 (C) 149.4
14 (CH) 136.6
15 (CH2) 115.4
16 (CH2) 115.4
17 (CH3) 16.1
18 (CH) 95.1
19 (CH) 97.5
20 (CH3) 24.5
2a (C) 176.4
2b (CH) 41.3
2c (CH2) 26.8
2d (CH3) 11.7
2ba (CH3) 16.7
18a (C) 170
18b (CH3) 22
19a (C) 170
19b (CH3) 21.3