3,4-epoxy-6,13-diacetoxy-5,10-trans-cleroda-14-en-20,12-olide

3,4-epoxy-6,13-diacetoxy-5,10-trans-cleroda-14-en-20,12-olide

Common Name: 3,4-epoxy-6,13-diacetoxy-5,10-trans-cleroda-14-en-20,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H34O7/c1-8-21(5,30-15(4)26)19-12-24(20(27)29-19)13(2)11-18(28-14(3)25)22(6)16(24)9-10-17-23(22,7)31-17/h8,13,16-19H,1,9-12H2,2-7H3/t13-,16+,17-,18+,19-,21-,22+,23-,24-/m1/s1

InChIKey: InChIKey=POZNCIDLLYSJMI-PWKMANRZSA-N

Formula: C24H34O7

Molecular Weight: 434.523482

Exact Mass: 434.230453

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nabeta, K., Oohata, T., Ohkubo, S., Sato, T., Katoh, K. Phytochemistry (1996) 41, 581-7

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) 16.7
2 (CH2) 33
3 (CH) 61.6
4 (C) 64.9
5 (C) 42.2
6 (CH) 76.3
7 (CH2) 27.9
8 (CH) 38
9 (C) 50.2
10 (CH) 52.9
11 (CH2) 36.4
12 (CH) 81.6
13 (C) 82.2
14 (CH) 136.8
15 (CH2) 117.4
16 (CH3) 19.9
17 (CH3) 16.3
18 (CH3) 11.4
19 (CH3) 21.2
20 (C) 175.7
13a (C) 170.7
13b (CH3) 21.8
19a (C) 169.4
19b (CH3) 22