(1R,3abeta,5aalpha,7aalpha,11balpha,13balpha)-8beta-Ethyl-3beta,5bbeta,8,11abeta,13abeta-pentamethylicosahydrochryseno[1,2-c]furan-1alpha,4beta,13alpha-triol 13-acetate

(1R,3abeta,5aalpha,7aalpha,11balpha,13balpha)-8beta-Ethyl-3beta,5bbeta,8,11abeta,13abeta-pentamethylicosahydrochryseno[1,2-c]furan-1alpha,4beta,13alpha-triol 13-acetate

Common Name: (1R,3abeta,5aalpha,7aalpha,11balpha,13balpha)-8beta-Ethyl-3beta,5bbeta,8,11abeta,13abeta-pentamethylicosahydrochryseno[1,2-c]furan-1alpha,4beta,13alpha-triol 13-acetate

Synonyms: (1R,3abeta,5aalpha,7aalpha,11balpha,13balpha)-8beta-Ethyl-3beta,5bbeta,8,11abeta,13abeta-pentamethylicosahydrochryseno[1,2-c]furan-1alpha,4beta,13alpha-triol 13-acetate

CAS Registry Number:

InChI: InChI=1S/C29H48O5/c1-8-26(4)11-9-12-27(5)19(26)10-13-28(6)20(27)15-22(34-17(3)30)29(7)21(28)14-18(31)23-16(2)33-25(32)24(23)29/h16,18-25,31-32H,8-15H2,1-7H3/t16-,18-,19-,20+,21-,22-,23+,24+,25+,26-,27-,28+,29+/m0/s1

InChIKey: InChIKey=JUVHNUFIIGPQEB-QRQHSHPESA-N

Formula: C29H48O5

Molecular Weight: 476.689522

Exact Mass: 476.350175

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Roy, M.C., Tanaka, J., de Voogd, N., Higa, T. J Nat Prod (2002) 65, 1838-42

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) 40.2
2 (CH2) 18.2
3 (CH2) 36.6
4 (C) 36.1
5 (CH) 58.6
6 (CH2) 18.1
7 (CH2) 42
8 (C) 37.8
9 (CH) 53.3
10 (C) 36.9
11 (CH2) 22
12 (CH) 74.6
13 (C) 38.2
14 (CH) 52.6
15 (CH2) 31.3
16 (CH) 72.8
17 (CH) 52.7
18 (CH) 55.9
19 (CH3) 28.5
20 (CH2) 24.5
21 (CH3) 16.8
22 (CH3) 16.9
23 (CH3) 16.3
24 (CH) 78.1
25 (CH) 96.5
26 (CH3) 20.5
27 (CH3) 8.6
12a (C) 171.1
12b (CH3) 21.6