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

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

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 12-acetate

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

CAS Registry Number:

InChI: InChI=1S/C27H42O5/c1-15(28)32-21-13-19-25(4)12-10-20(29)24(2,3)17(25)9-11-26(19,5)18-8-7-16-14-31-23(30)22(16)27(18,21)6/h7,17-23,29-30H,8-14H2,1-6H3/t17-,18-,19+,20-,21+,22+,23+,25-,26-,27+/m0/s1

InChIKey: InChIKey=HNSGSRVVIJFFGB-QMXYAEKJSA-N

Formula: C27H42O5

Molecular Weight: 446.620406

Exact Mass: 446.303224

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) 39.6
2 (CH2) 28
3 (CH) 79.5
4 (C) 40
5 (CH) 56.7
6 (CH2) 19
7 (CH2) 42.7
8 (C) 38.3
9 (CH) 59.5
10 (C) 38.5
11 (CH2) 24.6
12 (CH) 84.3
13 (C) 39.2
14 (CH) 55.3
15 (CH2) 23.3
16 (CH) 117.4
17 (C) 137.8
18 (CH) 62.2
19 (CH) 100.7
20 (CH2) 69
21 (CH3) 28.5
22 (CH3) 21.5
23 (CH3) 17
24 (CH3) 17.2
25 (CH3) 10.3
12a (C) 172.8
12b (CH3) 15.6