(12S,20S)-15,16-Epoxy-4a,6a-dihydroxy-neo-cleroda- 13 (16),14-dien-20,12,19-acetal

(12S,20S)-15,16-Epoxy-4a,6a-dihydroxy-neo-cleroda- 13 (16),14-dien-20,12,19-acetal

Common Name: (12S,20S)-15,16-Epoxy-4a,6a-dihydroxy-neo-cleroda- 13 (16),14-dien-20,12,19-acetal

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O5/c1-12-8-16(21)20-11-24-17-19(12,15(20)4-3-6-18(20,2)22)9-14(25-17)13-5-7-23-10-13/h5,7,10,12,14-17,21-22H,3-4,6,8-9,11H2,1-2H3/t12-,14+,15-,16+,17?,18-,19-,20+/m1/s1

InChIKey: InChIKey=ZHNDAXRBZLJYCR-SGOVXMKJSA-N

Formula: C20H28O5

Molecular Weight: 348.434084

Exact Mass: 348.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Rodriguez, B., Delatorre, M.C., Simmonds, M.S.J., Blaney, W.M., Boneva, I.M. Phytochemistry (1994) 37, 147-57

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 (CH2) 22.3
3 (CH2) 38.3
4 (C) 76.1
5 (C) 44
6 (CH) 73.6
7 (CH2) 38.8
8 (CH) 35.7
9 (C) 49.5
10 (CH) 44.6
11 (CH2) 37.2
12 (CH) 74.1
13 (C) 126.1
14 (CH) 108.5
15 (CH) 143.4
16 (CH) 139.4
17 (CH3) 16.4
18 (CH3) 24.7
19 (CH2) 60.8
20 (CH) 103