(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

(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

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)

Carbon NMR Peaks

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