808-19-5
DIGITOXIGENIN 3-ACETATE
Name
DIGITOXIGENIN 3-ACETATE
Formula
C25 H36 O5
MolWeight
416.554
1Identification
【Name】
DIGITOXIGENIN 3-ACETATE
【CAS】
【MDL】
MFCD00012255
【English Synonyms】
【Formula】
C25 H36 O5
【MolWeight】
416.554
【Inchi】
InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17?,18-,19+,20-,21+,23-,24+,25-/m0/s1
【InChIKey】
InChIKey=WJOGTCZNZPHODB-KIRXEDILSA-N
【SMILES】
CC(=O)O[C@H]1CC[C@]2(C(C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIGITOXIGENIN 3-ACETATE.cml
Quick Release
CYCLOPENTANONE, 3-HYDROXY-4-METHYL-2-(1-METHYLETHYLIDENE)-, (4S)-
352421-99-9
2-CYCLOPENTENE-1-CARBOXYLIC ACID, 1,2,5-TRIMETHYL-, TRANS-
88907-86-2
CYCLOBUTANECARBOXAMIDE, 1-AMINO-2-METHYL-, (1R,2S)-
775281-65-7
ISOMENTHONE
36977-92-1 ;491-07-6
(S)-4-METHYL-DIHYDRO-FURAN-2-ONE
64190-48-3
1-CYCLOPENTENE-1-CARBOXALDEHYDE, 4-ETHYL-2-METHYL-, (4S)-
362607-72-5
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:R159239-25MG 25MG
Catalog No:R277940-50MG 50MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 808-19-5 Suppliers>>
Catalog No:R159239-25MG 25MG
Catalog No:R277940-50MG 50MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 808-19-5 Suppliers>>
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