1-Formyl-4abeta,7-dimethyl-7alpha-ethenyl-8abeta-hydroxy-3,4,4a,4balpha,5,6,7,8,8a,9,10,10aalpha-dodecahydrophenanthrene-2-carboxylic acid methyl ester

1-Formyl-4abeta,7-dimethyl-7alpha-ethenyl-8abeta-hydroxy-3,4,4a,4balpha,5,6,7,8,8a,9,10,10aalpha-dodecahydrophenanthrene-2-carboxylic acid methyl ester

Common Name: 1-Formyl-4abeta,7-dimethyl-7alpha-ethenyl-8abeta-hydroxy-3,4,4a,4balpha,5,6,7,8,8a,9,10,10aalpha-dodecahydrophenanthrene-2-carboxylic acid methyl ester

Synonyms: 1-Formyl-4abeta,7-dimethyl-7alpha-ethenyl-8abeta-hydroxy-3,4,4a,4balpha,5,6,7,8,8a,9,10,10aalpha-dodecahydrophenanthrene-2-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H30O4/c1-5-19(2)9-8-17-20(3)10-6-14(18(23)25-4)15(12-22)16(20)7-11-21(17,24)13-19/h5,12,16-17,24H,1,6-11,13H2,2-4H3/t16-,17+,19-,20-,21+/m0/s1

InChIKey: InChIKey=STSSIXLXPNXXKZ-YZUZWNONSA-N

Formula: C21H30O4

Molecular Weight: 346.461296

Exact Mass: 346.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Labbe, C., Castillo, M., Fainia, F., Coll, J., Connolly, J.D. Phytochemistry (1994) 35, 735-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Isopimaranes; 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) 33.4
2 (CH2) 19.9
3 (C) 152.6
4 (C) 135.7
5 (CH) 48
6 (CH2) 19.2
7 (CH2) 42.5
8 (C) 77.3
9 (CH) 53.4
10 (C) 36.5
11 (CH2) 17.4
12 (CH2) 37.9
13 (C) 35.6
14 (CH2) 51.6
15 (CH) 151.1
16 (CH2) 108.8
17 (CH3) 24.5
18 (CH) 191
19 (C) 169.4
20 (CH3) 12.4
19a (CH3) 52