4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol

4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol

Common Name: 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol

Synonyms: 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol

CAS Registry Number:

InChI: InChI=1S/C25H40O4/c1-22(2)15-8-10-24(4)16-7-6-14-13-29-21(28)20(14)25(16,5)19(27)12-17(24)23(15,3)11-9-18(22)26/h6,15-21,26-28H,7-13H2,1-5H3/t15-,16-,17+,18-,19+,20+,21+,23-,24-,25+/m0/s1

InChIKey: InChIKey=FJUOWUVQEVUWDX-MAVWPOPNSA-N

Formula: C25H40O4

Molecular Weight: 404.583647

Exact Mass: 404.29266

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Tsuchiya, N., Sato, A., Hata, T., Sato, N., Sasagawa, K., Kobayashi, T. J Nat Prod (1998) 61, 468-73

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) 39
2 (CH2) 26
3 (CH) 79
4 (C) 40.4
5 (CH) 56
6 (CH2) 18.4
7 (CH2) 42.3
8 (C) 37.6
9 (CH) 59.2
10 (C) 37.8
11 (CH2) 27.3
12 (CH) 81.7
13 (C) 39.3
14 (CH) 53.9
15 (CH2) 22.7
16 (CH) 117.5
17 (C) 135.6
18 (CH) 60.9
19 (CH) 99.6
20 (CH2) 68.6
21 (CH3) 28.2
22 (CH3) 17.3
23 (CH3) 15.6
24 (CH3) 16.9
25 (CH3) 8.9