cis-Cleroda-3,13(14)-dien-15,16-olide-18-O-[b-D-galactopyranosyl]-peracetylester

cis-Cleroda-3,13(14)-dien-15,16-olide-18-O-[b-D-galactopyranosyl]-peracetylester

Common Name: cis-Cleroda-3,13(14)-dien-15,16-olide-18-O-[b-D-galactopyranosyl]-peracetylester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H46O13/c1-18-11-13-34(7)24(9-8-10-26(34)33(18,6)14-12-23-15-27(39)42-16-23)31(40)47-32-30(45-22(5)38)29(44-21(4)37)28(43-20(3)36)25(46-32)17-41-19(2)35/h9,15,18,25-26,28-30,32H,8,10-14,16-17H2,1-7H3/t18-,25-,26-,28-,29+,30-,32+,33+,34-/m1/s1

InChIKey: InChIKey=MLEKGMVTIJZSMC-ZZPXYZRXSA-N

Formula: C34H46O13

Molecular Weight: 662.722559

Exact Mass: 662.293842

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cifuente D.A., Borkowski E.J., Sosa M.E., Gianello J.C., Giordano O.S., Tonn C.E. Phytochemistry (2002) 61, 899-905

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) 16.4
2 (CH2) 21.8
3 (CH) 142.4
4 (C) 136
5 (C) 39.8
6 (CH2) 36.1
7 (CH2) 23.7
8 (CH) 37.3
9 (C) 36.3
10 (CH) 44.9
11 (CH2) 34.7
12 (CH2) 28
13 (C) 173.6
14 (CH) 114.6
15 (C) 170.7
16 (CH2) 72.7
17 (CH3) 15.6
18 (C) 164.2
19 (CH3) 32.6
20 (CH3) 17.3
1' (CH) 91
2' (CH) 69.8
3' (CH) 72.3
4' (CH) 67.6
5' (CH) 72.2
6' (CH2) 61.2
2'a (C) 168.5
2'b (CH3) 20.1
3'a (C) 169
3'b (CH3) 20.2
4'a (C) 169.6
4'b (CH3) 20.3
6'a (C) 170.1
6'b (CH3) 20.4