74080-86-7
19-NOR-9-BETA,10-ALPHA-LANOSTA-1,5,23-TRIENE-3,11,22-TRIONE, 16-ALPHA, 20-DIHYDROXY-2-(BETA-D-GLUCOPYRANOSYLOXY)-9-METHYL-
Name19-NOR-9-BETA,10-ALPHA-LANOSTA-1,5,23-TRIENE-3,11,22-TRIONE, 16-ALPHA, 20-DIHYDROXY-2-(BETA-D-GLUCOPYRANOSYLOXY)-9-METHYL-
1Identification
【Name】
19-NOR-9-BETA,10-ALPHA-LANOSTA-1,5,23-TRIENE-3,11,22-TRIONE, 16-ALPHA, 20-DIHYDROXY-2-(BETA-D-GLUCOPYRANOSYLOXY)-9-METHYL-
【CAS】
【MDL】
MFCD01960946
【English Synonyms】
【Formula】
C36 H52 O11
【MolWeight】
660.796
【Inchi】
InChI=1S/C36H52O11/c1-17(2)9-12-24(39)36(8,45)29-20(38)14-33(5)23-11-10-18-19(35(23,7)25(40)15-34(29,33)6)13-21(30(44)32(18,3)4)46-31-28(43)27(42)26(41)22(16-37)47-31/h9-10,12-13,17,19-20,22-23,26-29,31,37-38,41-43,45H,11,14-16H2,1-8H3/b12-9+
【InChIKey】
InChIKey=VUWQDBVUAUCVJP-FMIVXFBMSA-N
【SMILES】
CC(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O
【MOL File】
19-NOR-9-BETA,10-ALP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:11
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
19-NOR-9-BETA,10-ALPHA-LANOSTA-1,5,23-TRIENE-3,11,22-TRIONE, 16-ALPHA, 20-DIHYDROXY-2-(BETA-D-GLUCOPYRANOSYLOXY)-9-METHYL-.cml