(1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triol

(1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triol

Common Name: (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H38O4/c1-23(2)19-12-21(28)25(4)17-7-6-16(15-9-11-30-14-15)24(17,3)10-8-18(25)26(19,5)22(29)13-20(23)27/h7,9,11,14,16,18-22,27-29H,6,8,10,12-13H2,1-5H3/t16-,18-,19-,20+,21+,22-,24-,25-,26+/m0/s1

InChIKey: InChIKey=HEPXFFZSRWVRSA-VRRZSFKOSA-N

Formula: C26H38O4

Molecular Weight: 414.578502

Exact Mass: 414.27701

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) 72.21
2 (CH2) 29.35
3 (CH) 78.12
4 (C) 37.33
5 (CH) 33.97
6 (CH2) 23.63
7 (CH) 72.17
8 (C) 44.29
9 (CH) 34.33
10 (C) 42.02
11 (CH2) 15.59
12 (CH2) 32.41
13 (C) 47.56
14 (C) 162.32
15 (CH) 119.54
16 (CH2) 34.1
17 (CH) 51.4
18 (CH3) 19.9
19 (CH3) 16.07
20 (C) 124.61
21 (CH) 139.65
22 (CH) 111.1
23 (CH) 142.53
28 (CH3) 27.89
29 (CH3) 21.64
30 (CH3) 27.72