20-acetoxy-4β,5β-epoxy-13-epi-neohomoverrucos-15 (17)-en-16,12β-olide.

20-acetoxy-4β,5β-epoxy-13-epi-neohomoverrucos-15 (17)-en-16,12β-olide.

Common Name: 20-acetoxy-4β,5β-epoxy-13-epi-neohomoverrucos-15 (17)-en-16,12β-olide.

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O5/c1-12-17-15(26-19(12)24)9-22(11-25-13(2)23)8-7-20(3)10-16-21(4,27-16)6-5-14(20)18(17)22/h14-18H,1,5-11H2,2-4H3/t14-,15+,16-,17+,18+,20+,21+,22+/m1/s1

InChIKey: InChIKey=WKVPMQSADOXPAO-PFJVNDLRSA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

NMR Solvent: CDCl3

MHz:

Calibration:

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

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyathanes; 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) 46.4
2 (CH2) 25.8
3 (CH2) 35.7
4 (C) 59.6
5 (CH) 60.6
6 (CH2) 44.4
7 (C) 37.7
8 (CH2) 36.9
9 (CH2) 29.7
10 (C) 44.8
11 (CH2) 42.6
12 (CH) 81.1
13 (CH) 42.7
14 (CH) 52.6
15 (C) 136.2
16 (C) 170.8
17 (CH2) 123.7
18 (CH3) 22.8
19 (CH3) 16.9
20 (CH2) 63.2
20a (C) 170.8
20b (CH3) 20.8