 Home > Encyclopedia > [(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate structure

CAS No:
126167-89-3
Formula:
C32H40O12
Chemical Name:
[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
Synonyms:
javanicin D;Javanicin D;126167-89-3;DTXSID30925439;18-Norpicrasan-1-one, 2,12-bis(acetyloxy)-11-((1,3-benzodioxol-5-ylcarbonyl)oxy)-13-hydroxy-16-methoxy-, (2alpha,11alpha,12beta,16beta)-;2,10-Bis(acetyloxy)-3-hydroxy-5-methoxy-3,11a,11c-trimethyl-11-oxohexadecahydrophenanthro[10,1-bc]pyran-1-yl 2H-1,3-benzodioxole-5-carboxylate

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[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate Basic Attributes

Molecular Weight：

616.7 g/mol

Exact Mass：

616.25197671 g/mol

Characteristics

PSA：

153 Å²

Drug Information

MeSH Entry Terms：

javanicin D

Computed Properties

Molecular Weight:616.7
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:616.25197671
Monoisotopic Mass:616.25197671
Topological Polar Surface Area:153
Heavy Atom Count:44
Complexity:1190
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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