(11E)-8,9-Epoxy-2α,6α,16,19-tetrahydroxy-8βH,9βH-labda-11,13-dien-15-oic acid, y-lactone, 2,6,19-triacetate

(11E)-8,9-Epoxy-2α,6α,16,19-tetrahydroxy-8βH,9βH-labda-11,13-dien-15-oic acid, y-lactone, 2,6,19-triacetate

Common Name: (11E)-8,9-Epoxy-2α,6α,16,19-tetrahydroxy-8βH,9βH-labda-11,13-dien-15-oic acid, y-lactone, 2,6,19-triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O9/c1-15(27)32-14-23(4)10-19(33-16(2)28)11-24(5)22(23)20(34-17(3)29)12-25(6)26(24,35-25)8-7-18-9-21(30)31-13-18/h7-9,19-20,22H,10-14H2,1-6H3/b8-7+/t19-,20-,22-,23+,24-,25+,26-/m0/s1

InChIKey: InChIKey=SHNCGVYFFYAFDQ-KFKKMKGTSA-N

Formula: C26H34O9

Molecular Weight: 490.543763

Exact Mass: 490.220283

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) 42.48
2 (CH) 66.9
3 (CH2) 42.45
4 (C) 38.64
5 (CH) 47.41
6 (CH) 67.81
7 (CH2) 36.78
8 (C) 64.53
9 (C) 71.87
10 (C) 39.23
11 (CH) 132.44
12 (CH) 125.15
13 (C) 160.32
14 (CH) 116.88
15 (C) 173.53
16 (CH2) 70.57
17 (CH3) 19.57
18 (CH3) 29.31
19 (CH2) 67.52
20 (CH3) 20.14
2a (C) 170.42
2b (CH3) 20.94
6a (C) 170.48
6b (CH3) 21.46
19a (C) 171
19b (CH3) 21.76