9(Z)-2α,6α,8,16,19-Pentabydroxy-8PH-labda-9(11)13-dien-15-oic acid, y-lactone, 2,6,19-triacetate

9(Z)-2α,6α,8,16,19-Pentabydroxy-8PH-labda-9(11)13-dien-15-oic acid, y-lactone, 2,6,19-triacetate

Common Name: 9(Z)-2α,6α,8,16,19-Pentabydroxy-8PH-labda-9(11)13-dien-15-oic acid, y-lactone, 2,6,19-triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O9/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(6,31)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=RPVKLXMMDYCYHD-ZGZQMJKMSA-N

Formula: C26H36O9

Molecular Weight: 492.559645

Exact Mass: 492.235933

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) 45.92
2 (CH) 67.75
3 (CH2) 42.21
4 (C) 38.83
5 (CH) 49.95
6 (CH) 68.31
7 (CH2) 41.02
8 (C) 71.33
9 (C) 156.63
10 (C) 41.36
11 (CH) 119.81
12 (CH2) 29.13
13 (C) 170.41
14 (CH) 115.62
15 (C) 174.26
16 (CH2) 73.39
17 (CH3) 31.38
18 (CH3) 27.93
19 (CH2) 67.55
20 (CH3) 27.62
2a (C) 170.16
2b (CH3) 20.98
6a (C) 170.56
6b (CH3) 21.49
19a (C) 171.07
19b (CH3) 21.82