2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole

HCID 73027

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 79320-86-8
Standard SMILES: CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@]3(O)N=C(C)O[C@H]3[C@@]2(C)[C@]12CO2
InChIKey: VPAFCFZXLOFBST-IVBNJOGPSA-N
Molecular formula: C19H25NO6
Average molar mass: 363.4 g/mol
Monoisotopic mass: 363.16818752

Overview

RN & structure given in first source; RN not in Chemline 8/85

Names & identifiers

Preferred name: 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole
IUPAC: [(1S,2R,7R,9S,10R,14S,15S)-10-hydroxy-1,5,12-trimethylspiro[8,13-dioxa-11-azatetracyclo[7.5.1.02,7.010,14]pentadeca-5,11-diene-15,2'-oxirane]-2-yl]methyl acetate

Names & synonyms

Maheto2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole79320-86-8RefChem:80395NSC320017NSC 3200173a,4,8,9,10,10a-Hexahydro-3a-hydroxy-2,7,10-trimethylspiro(4,10-methano(1)benzoxepino(3,4-d)oxazole-11,2'-oxirane)-9a(5aH)-methanol acetate (ester), (3aS-(3aalpha,4alpha,5aalpha,9aalpha,10alpha,10aalpha,11R*))-[(2S)-hydroxy(trimethyl)spiro[[?]-2,2'-oxirane]yl]methyl acetateSpiro(4,10-methano(1)benzoxepino(3,4-d)oxazole-11,2'-oxirane)-9a(5aH)-methanol, 3a,4,8,9,10,10a-hexahydro-3a-hydroxy-2,7,10-trimethyl-, acetate (ester), (3aS-(3aalpha,4alpha,5aalpha,9aalpha,10alpha,10aalpha,11R*))-Spiro[4,10-methano[1]benzoxepino[3,4-d]oxazole-11,2'-oxirane]-9a(5aH)-methanol, 3a,4,8,9,10,10a-hexahydro-3a-hydroxy-2,7,10-trimethyl-, .alpha.-acetate, (3a.alpha.,4.beta.,5a.alpha.,9a.alpha.,10.beta.,10a.alpha.,11S*)-

Database identifiers

CAS: 79320-86-8
PubChem CID: 73027

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 763

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…