(2β,3β,5α)-5-Hydroxy-6-oxostigmast-7-ene-2,3-diyl diacetate

(2β,3β,5α)-5-Hydroxy-6-oxostigmast-7-ene-2,3-diyl diacetate

Common Name: (2β,3β,5α)-5-Hydroxy-6-oxostigmast-7-ene-2,3-diyl diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H52O6/c1-9-23(19(2)3)11-10-20(4)25-12-13-26-24-16-30(36)33(37)18-29(39-22(6)35)28(38-21(5)34)17-32(33,8)27(24)14-15-31(25,26)7/h16,19-20,23,25-29,37H,9-15,17-18H2,1-8H3/t20-,23-,25-,26+,27+,28+,29-,31-,32-,33+/m1/s1

InChIKey: InChIKey=KXBGEUTXGXRDMM-UXXZFNFESA-N

Formula: C33H52O6

Molecular Weight: 544.763633

Exact Mass: 544.376389

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) 27.7
2 (CH) 68.9
3 (CH) 69.4
4 (CH2) 34.7
5 (C) 77.1
6 (C) 197.7
7 (CH) 119.7
8 (C) 164.9
9 (CH) 44.2
10 (C) 40.2
11 (CH2) 21.8
12 (CH2) 38.8
13 (C) 44.8
14 (CH) 55.6
15 (CH2) 22.5
16 (CH2) 28
17 (CH) 56.3
18 (CH3) 12.4
19 (CH3) 18.8
20 (CH) 36.4
21 (CH3) 18.8
22 (CH2) 33.7
23 (CH2) 26.2
24 (CH) 45.7
25 (CH) 29.1
26 (CH3) 19
27 (CH3) 19.8
24a (CH2) 23
24b (CH3) 11.9
2a (C) 170.2
2b (CH3) 21
3a (C) 170.6
3b (CH3) 21.2