Methyl 2a-acetoxy-3b,4b-dihydroxy-neo-clerodan- 15-oate

Methyl 2a-acetoxy-3b,4b-dihydroxy-neo-clerodan- 15-oate

Common Name: Methyl 2a-acetoxy-3b,4b-dihydroxy-neo-clerodan- 15-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H40O6/c1-14(12-19(25)28-7)8-10-21(4)15(2)9-11-22(5)18(21)13-17(29-16(3)24)20(26)23(22,6)27/h14-15,17-18,20,26-27H,8-13H2,1-7H3/t14?,15-,17-,18-,20+,21+,22-,23+/m1/s1

InChIKey: InChIKey=AUHATZMXVSJXHF-RUCMCOIQSA-N

Formula: C23H40O6

Molecular Weight: 412.560985

Exact Mass: 412.282489

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Jimenez, A., Gomez, A., Lithgow, A.M. Phytochemistry (1995) 38, 443-5

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) 26
2 (CH) 75.3
3 (CH) 77.1
4 (C) 78.4
5 (C) 41.5
6 (CH2) 31.6
7 (CH2) 26.8
8 (CH) 36
9 (C) 38.5
10 (CH) 37.5
11 (CH2) 35.6
12 (CH2) 29.4
13 (CH) 31
14 (CH2) 41.4
15 (C) 173.8
16 (CH3) 20
17 (CH3) 15.9
18 (CH3) 19.5
19 (CH3) 17.2
20 (CH3) 18.4
2a (C) 172.1
2b (CH3) 21.4
15a (CH3) 51.4