8a-Acetoxy-13-hydroxy-5-oxo-epi-neoverrucosane

8a-Acetoxy-13-hydroxy-5-oxo-epi-neoverrucosane

Common Name: 8a-Acetoxy-13-hydroxy-5-oxo-epi-neoverrucosane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-12(2)22(25)8-7-19(4)11-16(26-13(3)23)21(6)10-15(24)20(5)9-14(20)17(21)18(19)22/h12,14,16-18,25H,7-11H2,1-6H3/t14-,16-,17+,18+,19+,20-,21+,22-/m0/s1

InChIKey: InChIKey=UHZDNNFXAPCZGB-NPFSJLOYSA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Grammes, C., Burkhardt, G., Veith, M., Huch, V., Becker, H. Phytochemistry (1997) 44, 1495-502

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Neoverrucosanes; 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 (CH) 44.8
2 (CH) 27.7
3 (C) 28.7
4 (CH2) 28.9
5 (C) 210.1
6 (CH2) 49.6
7 (C) 45.3
8 (CH) 75
9 (CH2) 42
10 (C) 42.7
11 (CH2) 37.7
12 (CH2) 35.1
13 (C) 84.6
14 (CH) 59.4
15 (CH) 35.3
16 (CH3) 18.4
17 (CH3) 19.8
18 (CH3) 20.3
19 (CH3) 12.5
20 (CH3) 20.2
8a (C) 170.4
8b (CH3) 21