Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H52O7/c1-10-25(20(2)3)12-11-21(4)26-14-16-35(42-24(7)38)28-17-30(39)29-18-31(40-22(5)36)32(41-23(6)37)19-33(29,8)27(28)13-15-34(26,35)9/h17-18,20-21,25-27,31-32H,10-16,19H2,1-9H3/t21-,25-,26-,27+,31-,32+,33-,34-,35-/m1/s1

InChIKey: InChIKey=OFDMNBXKRLJDOZ-SINHVQMASA-N

Formula: C35H52O7

Molecular Weight: 584.78451

Exact Mass: 584.371304

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kovganko, N.V., Sokolov, S.N. Chem Nat Compd (2001) 37, 162-6

Species:

Notes: Family : Steroids, Type : Stigmastanes; 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) 35.7
2 (CH) 67.8
3 (CH) 66.8
4 (CH) 127.2
5 (C) 146
6 (C) 188.7
7 (CH) 125
8 (C) 160.7
9 (CH) 43.8
10 (C) 38.7
11 (CH2) 20.6
12 (CH2) 29.8
13 (C) 48.9
14 (C) 98.2
15 (CH2) 25.7
16 (CH2) 26.7
17 (CH) 50.9
18 (CH3) 16.8
19 (CH3) 22
20 (CH) 36
21 (CH3) 17.6
22 (CH2) 33.9
23 (CH2) 26.5
24 (CH) 45.8
25 (CH) 29.2
26 (CH3) 19
27 (CH3) 19.9
24a (CH2) 23.1
24b (CH3) 12
2a (C) 170.3
2b (CH3) 20.9
3a (C) 170.3
3b (CH3) 21.1
14a (C) 167.7
14b (CH3) 20.9