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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30O8
Molecular Weight 458.5009
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AUSTINOL

SMILES

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

InChI

InChIKey=DNKFADXVMUNRRM-XOPCMRBUSA-N
InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3/t14-,17+,21+,22+,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H30O8
Molecular Weight 458.5009
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 10:13:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:13:28 GMT 2023
Record UNII
6Z34580GUZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AUSTINOL
Common Name English
DESACETYLAUSTIN
Common Name English
AUSTIN, O17-DEACETYL-
Common 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, 3,3A,6,7,11,11A-HEXAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3S-(3.ALPHA.,3A.ALPHA.,6.BETA.,7.BETA.,9.BETA.,11A.BETA.,11B.BETA.))-
Systematic Name 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, 6,7,11,11A-TETRAHYDRO-3A,7-DIHYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3R,3'R,3AR,6S,7S,11AS,11BR)-
Systematic Name English
Code System Code Type Description
CAS
72040-27-8
Created by admin on Sat Dec 16 10:13:28 GMT 2023 , Edited by admin on Sat Dec 16 10:13:28 GMT 2023
PRIMARY
PUBCHEM
3085683
Created by admin on Sat Dec 16 10:13:28 GMT 2023 , Edited by admin on Sat Dec 16 10:13:28 GMT 2023
PRIMARY
FDA UNII
6Z34580GUZ
Created by admin on Sat Dec 16 10:13:28 GMT 2023 , Edited by admin on Sat Dec 16 10:13:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID30992727
Created by admin on Sat Dec 16 10:13:28 GMT 2023 , Edited by admin on Sat Dec 16 10:13:28 GMT 2023
PRIMARY