(2aS,2bS,4R,4aR,6S,8bR,10R,10aS)-2a,4-Dihydroxy-6,8b-dimethyl-6-[(2S)-2-oxiranyl]-1,2,2a,2b,3,4,4a,5,6,7,8b,9,10,10a-tetradecahydrocyclobuta[a]phenanthren-10-yl acetate

(2aS,2bS,4R,4aR,6S,8bR,10R,10aS)-2a,4-Dihydroxy-6,8b-dimethyl-6-[(2S)-2-oxiranyl]-1,2,2a,2b,3,4,4a,5,6,7,8b,9,10,10a-tetradecahydrocyclobuta[a]phenanthren-10-yl acetate

Common Name: (2aS,2bS,4R,4aR,6S,8bR,10R,10aS)-2a,4-Dihydroxy-6,8b-dimethyl-6-[(2S)-2-oxiranyl]-1,2,2a,2b,3,4,4a,5,6,7,8b,9,10,10a-tetradecahydrocyclobuta[a]phenanthren-10-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-12(23)27-17-10-21(3)14-4-6-20(2,19-11-26-19)9-13(14)16(24)8-18(21)22(25)7-5-15(17)22/h4,13,15-19,24-25H,5-11H2,1-3H3/t13-,15+,16-,17-,18+,19-,20+,21+,22-/m1/s1

InChIKey: InChIKey=DJGOPHAVPKQDCJ-DBXCXYEUSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kurata, K., Taniguchi, K., Agatsuma, Y., Suzuki, M. Phytochemistry (1998) 47, 363-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isoparaguaranes; 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) 37.9
2 (CH) 70
3 (CH) 45
4 (C) 73.1
5 (CH) 47.4
6 (CH2) 35
7 (CH) 77.2
8 (CH) 39.2
9 (C) 144.8
10 (C) 31.3
11 (CH) 118.2
12 (CH2) 32.6
13 (C) 36.2
14 (CH2) 38.6
15 (CH) 56.9
16 (CH2) 45.6
17 (CH3) 25.8
18 (CH2) 15.6
19 (CH2) 29.9
20 (CH3) 21.5
2a (C) 170.5
2b (CH3) 21.6