(3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-carboxylic acid

(3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-carboxylic acid

Common Name: (3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-carboxylic acid

Synonyms: (3bR,5aR,6S,9aR,9bR)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-18-10-7-16-19(2,8-4-9-20(16,3)17(21)22)15(18)6-5-13-11-23-12-14(13)18/h11-12,15-16H,4-10H2,1-3H3,(H,21,22)/t15-,16+,18-,19+,20-/m0/s1

InChIKey: InChIKey=KJCLDWYEUKTPNA-ZRSLWSEBSA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, C.J., Schmitz, F.J., Kelly-Borges, M. J Nat Prod (1999) 62, 287-90

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) 37.7
2 (CH2) 18.3
3 (CH2) 41
4 (C) 43.8
5 (CH) 55.5
6 (CH2) 20.7
7 (CH2) 40.1
8 (C) 34.1
9 (CH) 57.2
10 (C) 38.1
11 (CH2) 18.9
12 (CH2) 20.1
13 (C) 119.7
14 (C) 137.3
15 (CH) 134.9
16 (CH) 136.7
17 (CH3) 25.8
18 (CH3) 28.8
19 (C) 184.8
20 (CH3) 13.8