Common Name: Casearinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9-11,18,21-24,26-27,32H,1,12-15H2,2-8H3/b16-11+,17-10+/t18-,21-,22+,23+,24+,26+,27-,28-,29-/m0/s1
InChIKey: InChIKey=GOBFDVWAFVUYAI-PIYQTMHSSA-N
Formula: C29H42O8
Molecular Weight: 518.640092
Exact Mass: 518.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hunter, M.S., Corley, D.G., Carron, C.P., Rowold, E., Kilpatrick, B.F., Durley, R.C. J Nat Prod (1997) 60, 894-9
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) | 27.5 |
2 (CH) | 70 |
3 (CH2) | 26.6 |
4 (CH) | 43.8 |
5 (C) | 54.6 |
6 (CH) | 74.9 |
7 (CH2) | 37.1 |
8 (CH) | 37.2 |
9 (C) | 37.7 |
10 (CH) | 37.8 |
11 (CH2) | 30.4 |
12 (CH) | 129 |
13 (C) | 136 |
14 (CH) | 141.3 |
15 (CH2) | 112.2 |
16 (CH3) | 12.4 |
17 (CH3) | 15.6 |
18 (CH) | 98.9 |
19 (CH) | 97.5 |
20 (CH3) | 25.8 |
2a (C) | 167.9 |
2b (C) | 128.9 |
2c (CH) | 137.7 |
2d (CH3) | 14.5 |
2ba (CH3) | 12.4 |
18a (C) | 169.8 |
18b (CH3) | 21.2 |
19a (C) | 169.5 |
19b (CH3) | 21.7 |