Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H36O12/c1-16(29)36-14-26-23(39-18(3)31)22(33)25(6,40-19(4)32)24(5,10-7-20-9-12-35-13-20)28(26,34)11-8-21(38-17(2)30)27(26)15-37-27/h9,12-13,21,23,34H,7-8,10-11,14-15H2,1-6H3/t21-,23-,24-,25-,26-,27+,28-/m0/s1

InChIKey: InChIKey=SARUBGGLRQRORJ-JEXOSSJKSA-N

Formula: C28H36O12

Molecular Weight: 564.579331

Exact Mass: 564.220677

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bruno, M., Rosselli, S., Maggio, A., Piozzi, F., Scaglioni, L., Arnold, N.A., Simmonds, M.S. Chem Pharm Bull (2004) 52, 1497-500

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) 28.23
2 (CH2) 24.99
3 (CH) 66.41
4 (C) 62.94
5 (C) 55.86
6 (CH) 70.1
7 (C) 199.25
8 (C) 92.12
9 (C) 50.94
10 (C) 82.59
11 (CH2) 32.38
12 (CH2) 22.39
13 (C) 124.36
14 (CH) 110.56
15 (CH) 143.17
16 (CH) 138.67
17 (CH3) 15.55
18 (CH2) 45.82
19 (CH2) 62.52
20 (CH3) 16.36
3a (C) 170.63
3b (CH3) 21.45
6a (C) 169.68
6b (CH3) 20.93
8a (C) 169.33
8b (CH3) 20.93
19a (C) 167.85
19b (CH3) 20.69