9(Z)-8-Hydroperoxy-2α,6α,16,9 -tetrahydroxy-8PH-labda-9(11)133 -dien-I5-oic acid,y -lactone, 2,6,19-tiacetate

9(Z)-8-Hydroperoxy-2α,6α,16,9 -tetrahydroxy-8PH-labda-9(11)133 -dien-I5-oic acid,y -lactone, 2,6,19-tiacetate

Common Name: 9(Z)-8-Hydroperoxy-2α,6α,16,9 -tetrahydroxy-8PH-labda-9(11)133 -dien-I5-oic acid,y -lactone, 2,6,19-tiacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O10/c1-15(27)33-14-24(4)10-19(34-16(2)28)11-25(5)21(8-7-18-9-22(30)32-13-18)26(6,36-31)12-20(23(24)25)35-17(3)29/h8-9,19-20,23,31H,7,10-14H2,1-6H3/b21-8-/t19-,20-,23-,24+,25+,26-/m0/s1

InChIKey: InChIKey=XPHGPETVQKASAB-ZGZQMJKMSA-N

Formula: C26H36O10

Molecular Weight: 508.55905

Exact Mass: 508.230847

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 1407-18

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 45.88
2 (CH) 67.87
3 (CH2) 42.14
4 (C) 38.87
5 (CH) 50.51
6 (CH) 68.31
7 (CH2) 37.21
8 (C) 82.81
9 (C) 152.14
10 (C) 41.37
11 (CH) 120.25
12 (CH2) 28.56
13 (C) 170.19
14 (CH) 115.81
15 (C) 174.36
16 (CH2) 73.47
17 (CH3) 26.94
18 (CH3) 27.7
19 (CH2) 67.52
20 (CH3) 26.54
2a (C) 170.27
2b (CH3) 20.94
6a (C) 170.13
6b (CH3) 21.46
19a (C) 171.13
19b (CH3) 21.8