(4S)-4alpha,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione

(4S)-4alpha,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione

Common Name: (4S)-4alpha,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione

Synonyms: (4S)-4alpha,11-Dihydroxy-7,7,10abeta-trimethyl-1,4,6aalpha,7,8,9,10,10a-octahydro-2H-phenanthro[1,2-c]pyran-6,12-dione

CAS Registry Number:

InChI: InChI=1S/C20H24O5/c1-19(2)6-4-7-20(3)14-11(9-12(21)17(19)20)13-10(15(22)16(14)23)5-8-25-18(13)24/h9,17-18,23-24H,4-8H2,1-3H3/t17-,18-,20+/m0/s1

InChIKey: InChIKey=KDHWZJKLOLFJOO-CMKODMSKSA-N

Formula: C20H24O5

Molecular Weight: 344.402321

Exact Mass: 344.162374

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Schaller, F., Wolfender, J.L., Hostettmann, K., Mavi, S. Helv Chim Acta (2001) 84, 222-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) 19.2
3 (CH2) 43
4 (C) 43.3
5 (CH) 62.6
6 (C) 201.1
7 (CH) 131.5
8 (C) 138.8
9 (C) 127.5
10 (C) 33.4
11 (C) 145.5
12 (C) 181.9
13 (C) 133.1
14 (C) 143.5
15 (CH2) 22.7
16 (CH2) 56.3
17 (CH) 87.8
18 (CH3) 33.4
19 (CH3) 22.2
20 (CH3) 21.7