Heteroscyphone C

Heteroscyphone C

Common Name: Heteroscyphone C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-7-21(6,25)18-19(27-15(4)23)22(12-26-18)13(2)8-9-20(5)14(3)10-16(24)11-17(20)22/h7,10,13,17-19,25H,1,8-9,11-12H2,2-6H3/t13-,17+,18-,19+,20+,21-,22-/m0/s1

InChIKey: InChIKey=VQKYCOGSSNIRIC-IMAKWLNTSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hashimoto, T., Nakamura, I., Tori, M., Takaoka, S., Asakawa, Y. Phytochemistry (1995) 38, 119-27

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) 35.2
2 (C) 198.8
3 (CH) 126
4 (C) 170.5
5 (C) 40
6 (CH2) 35.3
7 (CH2) 27.9
8 (CH) 35
9 (C) 51.8
10 (CH) 45.9
11 (CH) 76.4
12 (CH) 85.9
13 (C) 74.4
14 (CH) 139.6
15 (CH2) 114.4
16 (CH3) 25
17 (CH3) 18.3
18 (CH3) 19.2
19 (CH3) 17.8
20 (CH2) 69.4
11a (C) 170
11b (CH3) 20.9