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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C25H38O4/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/h6,15-17,19-21,27-28H,7-13H2,1-5H3/t15-,16-,17+,19+,20+,21+,23-,24-,25+/m0/s1

InChIKey: InChIKey=KHYDTIKDUFOUBY-QPLORUKHSA-N

Formula: C25H38O4

Molecular Weight: 402.567766

Exact Mass: 402.27701

NMR Solvent: C5D5N

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) 39.1
2 (CH2) 19.3
3 (C) 216.3
4 (C) 47.3
5 (CH) 54.5
6 (CH2) 22.8
7 (CH2) 40.8
8 (C) 36.8
9 (CH) 57.8
10 (C) 37.4
11 (CH2) 34.2
12 (CH) 81
13 (C) 40.6
14 (CH) 53.6
15 (CH2) 27.1
16 (CH) 116.6
17 (C) 137.2
18 (CH) 61.8
19 (CH) 100
20 (CH2) 68.3
21 (CH3) 26.8
22 (CH3) 21
23 (CH3) 16.4
24 (CH3) 16.5
25 (CH3) 9.4