Common Name: (1aS)-5beta-[(S)-Oxiranyl]-1a,1balpha,2,3,3abeta,4,5,6,7b,8,9,9abeta-dodecahydro-1abeta,5,7bbeta-trimethyl-1H-cyclopropa[a]phenanthrene
Synonyms: (1aS)-5beta-[(S)-Oxiranyl]-1a,1balpha,2,3,3abeta,4,5,6,7b,8,9,9abeta-dodecahydro-1abeta,5,7bbeta-trimethyl-1H-cyclopropa[a]phenanthrene
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-18(17-12-21-17)8-7-15-13(10-18)4-5-16-19(15,2)9-6-14-11-20(14,16)3/h7,13-14,16-17H,4-6,8-12H2,1-3H3/t13-,14-,16+,17-,18+,19+,20+/m1/s1
InChIKey: InChIKey=XYIJFUAEOWBFQQ-IZSQIBBJSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
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 : Paraguaranes; 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) | 31.1 |
2 (CH2) | 19.5 |
3 (CH) | 19.4 |
4 (C) | 16.4 |
5 (CH) | 49.9 |
6 (CH2) | 25.5 |
7 (CH2) | 35.9 |
8 (CH) | 30.9 |
9 (C) | 147.6 |
10 (C) | 37.5 |
11 (CH) | 115.4 |
12 (CH2) | 33.2 |
13 (C) | 31.5 |
14 (CH2) | 42.6 |
15 (CH) | 57 |
16 (CH2) | 45.6 |
17 (CH3) | 25.4 |
18 (CH2) | 21.4 |
19 (CH3) | 24.1 |
20 (CH3) | 18.3 |