20-acetoxy-13-epi-neoverrucosan-5β,12β-diol

20-acetoxy-13-epi-neoverrucosan-5β,12β-diol

Common Name: 20-acetoxy-13-epi-neoverrucosan-5β,12β-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-12(2)17-15(24)9-22(11-26-13(3)23)7-6-20(4)10-16(25)21(5)8-14(21)18(20)19(17)22/h12,14-19,24-25H,6-11H2,1-5H3/t14-,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1

InChIKey: InChIKey=FEHJOWQHUSHEDN-ZSIQPENOSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Toyota, M., Nakaishi, E., Asakawa, Y. Phytochemistry (1996) 43, 1057-64

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) 45.3
2 (CH) 27
3 (CH2) 20.3
4 (C) 23.8
5 (CH) 70.9
6 (CH2) 46.7
7 (C) 37.2
8 (CH2) 34.4
9 (CH2) 29.7
10 (C) 44.2
11 (CH2) 49.9
12 (CH) 74.7
13 (CH) 49.7
14 (CH) 45.9
15 (CH) 28
16 (CH3) 22.6
17 (CH3) 25.7
18 (CH3) 25.3
19 (CH3) 17.1
20 (CH2) 65.1
20a (C) 171.8
20b (CH3) 21.1