U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O10
Molecular Weight 532.5794
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AUSTALIDE E

SMILES

[H][C@]12CC3=C(OC)C4=C(COC4=O)C(C)=C3O[C@@]1(C)C[C@@H](OC(C)=O)[C@]56O[C@@](C[C@@H](O)[C@]25C)(OC)OC6(C)C

InChI

InChIKey=FGVDMOOUPMLQRT-OPQAPENCSA-N
InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)11-19(35-14(2)29)28-24(3,4)37-27(33-8,38-28)10-18(30)26(17,28)6/h17-19,30H,9-12H2,1-8H3/t17-,18+,19+,25-,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36O10
Molecular Weight 532.5794
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:05:40 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:40 GMT 2023
Record UNII
O17A07M3PR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AUSTALIDE E
Common Name English
5H-3,5A-EPOXY-12H-FURO(3,4-I)OXEPINO(4,3-A)XANTHEN-12-ONE, 6-(ACETYLOXY)-1,2,3,6,7,7A,10,14,14A,14B-DECAHYDRO-1-HYDROXY-3,13-DIMETHOXY-5,5,7A,9,14B-PENTAMETHYL-, (1R,3S,5AR,6R,7AS,14AR,14BS)-
Systematic Name English
12H-3,5A-EPOXY-5H-FURO(3,4-I)OXEPINO(4,3-A)XANTHEN-12-ONE, 6-(ACETYLOXY)-1,2,3,6,7,7A,10,14,14A,14B-DECAHYDRO-1-HYDROXY-3,13-DIMETHOXY-5,5,7A,9,14B-PENTAMETHYL-, (1R-(1.ALPHA.,3.BETA.,5A.BETA.,6.ALPHA.,7A.BETA.,14A.BETA.,14B.ALPHA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
102060394
Created by admin on Sat Dec 16 13:05:40 GMT 2023 , Edited by admin on Sat Dec 16 13:05:40 GMT 2023
PRIMARY
FDA UNII
O17A07M3PR
Created by admin on Sat Dec 16 13:05:40 GMT 2023 , Edited by admin on Sat Dec 16 13:05:40 GMT 2023
PRIMARY
CAS
81543-05-7
Created by admin on Sat Dec 16 13:05:40 GMT 2023 , Edited by admin on Sat Dec 16 13:05:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID30109863
Created by admin on Sat Dec 16 13:05:40 GMT 2023 , Edited by admin on Sat Dec 16 13:05:40 GMT 2023
PRIMARY