 Home > Encyclopedia > [(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate

[(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate

[(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate structure

CAS No:
79320-89-1
Formula:
C19H26O7
Chemical Name:
[(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate
Synonyms:
15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene;79320-89-1;DTXSID201000396;15-Acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene;(3a-Hydroxy-2,7,10-trimethyl-3a,4,8,9,10,10a-hexahydro-2H-spiro[4,10-methano[1,3]dioxolo[4,5-c][1]benzoxepine-11,2'-oxiran]-9a(5aH)-yl)methyl acetate;Trichothec-9-ene-3,3,4,15-tetrol, 12,13-epoxy-, cyclic 3,4-(ethylidene acetal), 15-acetate, (3beta(S),4beta)-

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[(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate Basic Attributes

Molecular Weight：

366.4 g/mol

Exact Mass：

366.16785316 g/mol

Characteristics

PSA：

86.8 Å²

XLogP3：

1.2823

Melting Point：

172 - 173 °C (diethyl ether)

Drug Information

MeSH Entry Terms：

15-acetoxy-3-hydroxy-3,4-O,O-ethylidene-12,13-epoxytrichothec-9-ene

Computed Properties

Molecular Weight:366.4
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:366.16785316
Monoisotopic Mass:366.16785316
Topological Polar Surface Area:86.8
Heavy Atom Count:26
Complexity:706
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R,7R,9S,10S,12S,14S)-10-hydroxy-1,5,12-trimethylspiro[8,11,13-trioxatetracyclo[7.5.1.02,7.010,14]pentadec-5-ene-15,2'-oxirane]-2-yl]methyl acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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