1059-21-8
GITOXIGENIN 3-ACETATE
Name
GITOXIGENIN 3-ACETATE
Formula
C25 H36 O6
MolWeight
432.553
1Identification
【Name】
GITOXIGENIN 3-ACETATE
【CAS】
【MDL】
MFCD00012253
【English Synonyms】
【Formula】
C25 H36 O6
【MolWeight】
432.553
【Inchi】
InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-18(23)7-9-24(3)22(15-10-21(28)30-13-15)20(27)12-25(19,24)29/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16?,17-,18-,19+,20-,22-,23-,24+,25-/m0/s1
【InChIKey】
InChIKey=IBVUJOOHHPQIOV-ZVIQYDNLSA-N
【SMILES】
CC(=O)O[C@H]1CC[C@]2(C(C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GITOXIGENIN 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
Related products
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