2α,6α,9,16,19-Pentabydroxylabda-8(20,13)-dien-15-oic acid, y-lactone,2,6,19-triacetate

2α,6α,9,16,19-Pentabydroxylabda-8(20,13)-dien-15-oic acid, y-lactone,2,6,19-triacetate

Common Name: 2α,6α,9,16,19-Pentabydroxylabda-8(20,13)-dien-15-oic acid, y-lactone,2,6,19-triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O9/c1-15-9-21(35-18(4)29)23-24(5,14-33-16(2)27)11-20(34-17(3)28)12-25(23,6)26(15,31)8-7-19-10-22(30)32-13-19/h10,20-21,23,31H,1,7-9,11-14H2,2-6H3/t20-,21-,23-,24+,25-,26+/m0/s1

InChIKey: InChIKey=IPCLOTXYDQSOGR-CKFSHRNPSA-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) 38.02
2 (CH) 68.01
3 (CH2) 42.88
4 (C) 38.88
5 (CH) 48.37
6 (CH) 72.26
7 (CH2) 39.18
8 (C) 143.39
9 (C) 78.78
10 (C) 45.49
11 (CH2) 27.99
12 (CH2) 24.05
13 (C) 170.59
14 (CH) 115.79
15 (C) 173.96
16 (CH2) 73.27
17 (CH2) 114.37
18 (CH3) 31.41
19 (CH2) 67.84
20 (CH3) 18.95
2a (C) 170
2b (CH3) 20.95
6a (C) 170.54
6b (CH3) 21.53
19a (C) 171.16
19b (CH3) 21.91