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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H34O8
Molecular Weight 486.5541
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AUSTALIDE I

SMILES

[H][C@]12CC3=C(OC)C4=C(COC4=O)C(C)=C3O[C@@]1(C)C[C@@H](OC(C)=O)[C@]5([H])[C@]2(C)CCC(=O)OC5(C)C

InChI

InChIKey=XBPVWACQUMEORV-YZXBTVPESA-N
InChI=1S/C27H34O8/c1-13-16-12-32-24(30)20(16)22(31-7)15-10-18-26(5)9-8-19(29)34-25(3,4)23(26)17(33-14(2)28)11-27(18,6)35-21(13)15/h17-18,23H,8-12H2,1-7H3/t17-,18-,23+,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H34O8
Molecular Weight 486.5541
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:05:41 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:41 GMT 2023
Record UNII
SO7S6DS7TQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AUSTALIDE I
Common Name English
5H-FURO(3,4-I)OXEPINO(4,3-A)XANTHENE-3,12-DIONE, 6-(ACETYLOXY)-1,2,5A,6,7,7A,10,14,14A,14B-DECAHYDRO-13-METHOXY-5,5,7A,9,14B-PENTAMETHYL-, (5AS-(5A.ALPHA.,6.BETA.,7A.ALPHA.,14A.ALPHA.,14B.BETA.))-
Systematic Name English
5H-FURO(3,4-I)OXEPINO(4,3-A)XANTHENE-3,12-DIONE, 6-(ACETYLOXY)-1,2,5A,6,7,7A,10,14,14A,14B-DECAHYDRO-13-METHOXY-5,5,7A,9,14B-PENTAMETHYL-, (5AS,6R,7AS,14AR,14BR)-
Systematic Name English
Code System Code Type Description
FDA UNII
SO7S6DS7TQ
Created by admin on Sat Dec 16 13:05:41 GMT 2023 , Edited by admin on Sat Dec 16 13:05:41 GMT 2023
PRIMARY
CAS
96817-08-2
Created by admin on Sat Dec 16 13:05:41 GMT 2023 , Edited by admin on Sat Dec 16 13:05:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID10109953
Created by admin on Sat Dec 16 13:05:41 GMT 2023 , Edited by admin on Sat Dec 16 13:05:41 GMT 2023
PRIMARY
PUBCHEM
123133451
Created by admin on Sat Dec 16 13:05:41 GMT 2023 , Edited by admin on Sat Dec 16 13:05:41 GMT 2023
PRIMARY