Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H56O16/c1-21-14-16-49-31(45)18-38(7,48)19-32(46)50-20-28-33(52-24(4)42)34(53-25(5)43)35(54-26(6)44)37(55-28)56-36(47)27-11-10-12-29-39(27,8)15-13-22(2)40(29,9)30(17-21)51-23(3)41/h11,14,22,28-30,33-35,37,48H,10,12-13,15-20H2,1-9H3/b21-14+/t22-,28-,29+,30-,33-,34+,35-,37+,38-,39+,40+/m1/s1

InChIKey: InChIKey=OXXBSGZOHIQEKK-ODKXRRKMSA-N

Formula: C40H56O16

Molecular Weight: 792.864597

Exact Mass: 792.356836

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Carbone, M., Gavagnin, M., Mollo, E., Bidello, M., Roussis, V., Cimino, G. Tetrahedron (2008) 64, 191-6

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) 18.7
2 (CH2) 27
3 (CH) 138.8
4 (C) 141.5
5 (C) 37.5
6 (CH2) 35.1
7 (CH2) 27
8 (CH) 34.6
9 (C) 44.4
10 (CH) 45.4
11 (CH) 74.7
12 (CH2) 42.3
13 (C) 138.7
14 (CH) 122.6
15 (CH2) 61.3
16 (CH3) 16.1
17 (CH3) 17.8
18 (C) 166.3
19 (CH3) 21.3
20 (CH3) 12.1
1' (CH) 91.9
2' (CH) 70.2
3' (CH) 74.7
4' (CH) 68.6
5' (CH) 72.8
6' (CH2) 61.5
1'' (C) 172.2
2'' (CH2) 44.2
3'' (C) 69.6
4'' (CH2) 47
5'' (C) 169.7
6'' (CH3) 27.1
11a (C) 170
11b (CH3) 21.1
2'a (C) 169.8
2'b (CH3) 20.6
3'a (C) 169.3
3'b (CH3) 20.5
4'a (C) 168.8
4'b (CH3) 20.5