Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H46O7/c1-5-17-7-9-21-20-8-6-18-14-19(10-12-29(18,4)22(20)11-13-28(17,21)3)35-27-26(33)25(32)24(31)23(36-27)15-34-16(2)30/h5,17-27,31-33H,1,6-15H2,2-4H3/t17-,18-,19-,20-,21-,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1

InChIKey: InChIKey=MFDXZQVDQOKLTI-NJYYPYJTSA-N

Formula: C29H46O7

Molecular Weight: 506.67245

Exact Mass: 506.324354

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marville, K.I., Reynolds, W.F., Sealy, R.L., Tinto, W.F. Heterocycles (2004) 63, 107-13

Species:

Notes: Family : Steroids, Type : Pregnanes; 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) 37.2
2 (CH2) 29.7
3 (CH) 79.4
4 (CH2) 38.8
5 (CH) 140.5
6 (CH2) 122.1
7 (CH2) 32
8 (CH) 37.3
9 (CH) 50.5
10 (C) 36.9
11 (CH2) 20.7
12 (CH2) 37.4
13 (C) 43.4
14 (CH) 55.9
15 (CH2) 25
16 (CH2) 27.3
17 (CH) 55.4
18 (CH3) 12.7
19 (CH3) 19.4
20 (CH) 139.8
21 (CH2) 114.6
1' (CH) 101.4
2' (CH) 72
3' (CH) 73.4
4' (CH) 68.2
5' (CH) 72.1
6' (CH2) 62.8
6'a (C) 171.1
6'b (CH3) 21