Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H50O6/c1-9-23(19(2)3)11-10-20(4)24-12-13-25-26-16-30(36)32(8)18-28(39-22(6)35)27(38-21(5)34)17-29(32)33(26,37)15-14-31(24,25)7/h16-17,19-20,23-25,27-28,37H,9-15,18H2,1-8H3/t20-,23-,24-,25+,27+,28-,31-,32-,33-/m1/s1

InChIKey: InChIKey=LDEZGBHWMYDRFH-GCEXTOBLSA-N

Formula: C33H50O6

Molecular Weight: 542.747752

Exact Mass: 542.360739

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 (CH) 121.6
2 (CH) 67
3 (CH) 67.2
4 (CH2) 31.8
5 (C) 47.7
6 (C) 200.3
7 (CH) 119.8
8 (C) 163.6
9 (C) 71.9
10 (C) 150.4
11 (CH2) 35.8
12 (CH2) 37
13 (C) 48.2
14 (CH) 50.1
15 (CH2) 21.4
16 (CH2) 27.9
17 (CH) 56.2
18 (CH3) 12.3
19 (CH3) 29.2
20 (CH) 36.3
21 (CH3) 18.8
22 (CH2) 33.8
23 (CH2) 26.1
24 (CH) 45.9
25 (CH) 29.8
26 (CH3) 19
27 (CH3) 19.8
24a (CH2) 23.1
24b (CH3) 12
2a (C) 170.8
2b (CH3) 21
3a (C) 171.2
3b (CH3) 21