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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32O9
Molecular Weight 500.5376
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AUSTIN

SMILES

C[C@@H]1OC(=O)[C@@]23C(=C)[C@@](C)(OC(=O)[C@@]12O)[C@H](OC(C)=O)C4=C(C)[C@]5(CC[C@@]34C)C=CC(=O)OC5(C)C

InChI

InChIKey=DEMDOYQPCDXCEB-WLEVADLXSA-N
InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32O9
Molecular Weight 500.5376
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 Thu Jul 06 16:42:37 UTC 2023
Edited
by admin
on Thu Jul 06 16:42:37 UTC 2023
Record UNII
TTT25XE98E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AUSTIN
Common Name English
(3S-(3.ALPHA.,3A.ALPHA.,6.BETA.,7.BETA.,9.BETA.,11A.BETA.,11B.BETA.))-7-(ACETYLOXY)-3,3A,6,7,11,11A-HEXAHYDRO-3A-HYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENESPIRO(1H-6,11B-METHANO-4H-FURO(3,4-E)(3)BENZOXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE
Common Name English
NSC-280416
Code English
SPIRO(3AH-6,11B-METHANO-3H-BENZO(E)FURO(3,4-C)OXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 7-(ACETYLOXY)-6,7,11,11A-TETRAHYDRO-3A-HYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3S,3'S,3AS,6R,7R,11AR,11BS)-
Systematic Name English
SPIRO(1H-6,11B-METHANO-4H-FURO(3,4-E)(3)BENZOXOCIN-9(10H),3'(6'H)-(2H)PYRAN)-1,4,6'-TRIONE, 7-(ACETYLOXY)-3,3A,6,7,11,11A-HEXAHYDRO-3A-HYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3S,3'S,3AS,6R,7R,11AR,11BS)-
Common Name English
Code System Code Type Description
NSC
280416
Created by admin on Thu Jul 06 16:42:37 UTC 2023 , Edited by admin on Thu Jul 06 16:42:37 UTC 2023
PRIMARY
PUBCHEM
38353601
Created by admin on Thu Jul 06 16:42:37 UTC 2023 , Edited by admin on Thu Jul 06 16:42:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID00893994
Created by admin on Thu Jul 06 16:42:37 UTC 2023 , Edited by admin on Thu Jul 06 16:42:37 UTC 2023
PRIMARY
FDA UNII
TTT25XE98E
Created by admin on Thu Jul 06 16:42:37 UTC 2023 , Edited by admin on Thu Jul 06 16:42:37 UTC 2023
PRIMARY
CAS
61103-89-7
Created by admin on Thu Jul 06 16:42:37 UTC 2023 , Edited by admin on Thu Jul 06 16:42:37 UTC 2023
PRIMARY
Related Record Type Details
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