(13S)-2α,6α,7β-Triacetoxy-4α,18-epoxyneoclerodan-19-al 16,15-lactone

(13S)-2α,6α,7β-Triacetoxy-4α,18-epoxyneoclerodan-19-al 16,15-lactone

Common Name: (13S)-2α,6α,7β-Triacetoxy-4α,18-epoxyneoclerodan-19-al 16,15-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O11/c1-13-19(34-14(2)27)20(35-15(3)28)26-18(23(13,5)8-6-17-7-9-32-21(17)30)10-25(36-16(4)29,37-22(26)31)11-24(26)12-33-24/h13,17-20H,6-12H2,1-5H3/t13-,17-,18-,19-,20+,23+,24+,25-,26+/m1/s1

InChIKey: InChIKey=QIQGRISPLDKBNH-BEGCVNOQSA-N

Formula: C26H34O11

Molecular Weight: 522.542573

Exact Mass: 522.210112

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., de la Torre, M.C., Simmonds, M.S., Blaney, W.M. J Nat Prod (1999) 62, 594-600

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) 28.7
2 (C) 70.4
3 (CH2) 37.6
4 (C) 61.7
5 (C) 54.7
6 (CH) 72.9
7 (CH) 73.4
8 (CH) 39.6
9 (C) 39.5
10 (CH) 44.7
11 (CH2) 35.3
12 (CH2) 23.6
13 (CH) 39.4
14 (CH2) 26.7
15 (CH2) 66.5
16 (C) 178.9
17 (CH3) 10.6
18 (CH2) 50
19 (C) 202.4
20 (CH3) 19.9
2a (C) 170.5
2b (CH3) 21.2
6a (C) 170.3
6b (CH3) 20.7
7a (C) 169.5
7b (CH3) 20.6