Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H60O18/c1-19-11-13-52-27(42)15-38(4,51)16-28(43)54-18-24-30(45)32(47)34(49)37(56-24)58-35(50)22-8-7-9-25-39(22,5)12-10-20(2)40(25,6)26(14-19)57-36-33(48)31(46)29(44)23(55-36)17-53-21(3)41/h8,11,20,23-26,29-34,36-37,44-49,51H,7,9-10,12-18H2,1-6H3/b19-11+/t20-,23-,24-,25+,26-,29-,30-,31+,32+,33-,34-,36+,37+,38-,39+,40+/m1/s1

InChIKey: InChIKey=ZPMCBWAPMZRPHF-BDBGYJLHSA-N

Formula: C40H60O18

Molecular Weight: 828.89517

Exact Mass: 828.377965

NMR Solvent: CD3OD

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) 19.9
2 (CH2) 27.6
3 (CH) 138.5
4 (C) 144.6
5 (C) 38.7
6 (CH2) 36.5
7 (CH2) 29.4
8 (CH) 35.7
9 (C) 45.6
10 (CH) 46.6
11 (CH) 81.1
12 (CH2) 42.4
13 (C) 140.8
14 (CH) 123.5
15 (CH2) 62.4
16 (CH3) 16.4
17 (CH3) 19
18 (C) 169.3
19 (CH3) 21.8
20 (CH3) 13.5
1' (CH) 95.5
2' (CH) 74
3' (CH) 78.4
4' (CH) 71.6
5' (CH) 76.2
6' (CH2) 63.9
1'' (C) 172.8
2'' (CH2) 46.3
3'' (C) 71
4'' (CH2) 49.6
5'' (C) 171.8
6'' (CH3) 30.7
1''' (CH) 102.1
2''' (CH) 75.1
3''' (CH) 78.1
4''' (CH) 72.1
5''' (CH) 77.8
6''' (CH2) 63.1
6'''a (C) 172.6
6'''b (CH3) 20.9