octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one

HCID 2240CAS 497820-35-6
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Basic information

Standard SMILES
CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4
InChIKey
BLUAFEHZUWYNDE-UHFFFAOYSA-N
Molecular formula
C15H22O5
Average molar mass
282.33 g/mol
Monoisotopic mass
282.1467238

Overview

See also: Artemisinin (annotation moved to); Qing Hau Sau (annotation moved to).

Names & identifiers

Preferred name
octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one
IUPAC
1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

Names & synonyms

497820-35-6RefChem:1093782octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one(+)-Arteannuin1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-oneSR-01000783029TNP00107NSC369397MLS001195096CHEMBL345083SCHEMBL8011257
Show more names
GNF-PF-5671DTXSID20860789BLUAFEHZUWYNDE-UHFFFAOYSA-NHMS1607A03HMS2864N18HMS5079N05AKOS001483011NCGC00017227-02

Database identifiers

CAS
497820-35-6、63968-64-9
PubChem CID
2240
DTXSID
DTXSID20860789
ChEMBL
CHEMBL345083

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
20

Related reactions

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Linked notes

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