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)
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 |