AUSTINOL

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 Search

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 `Mon Mar 31 23:07:02 GMT 2025` Edited by `admin` on `Mon Mar 31 23:07:02 GMT 2025`
Record UNII	6Z34580GUZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AUSTIN, O17-DEACETYL-

Preferred Name

English

AUSTINOL

Common Name

English

DESACETYLAUSTIN

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 Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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PUBCHEM

3085683

Created by admin on Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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FDA UNII

6Z34580GUZ

Created by admin on Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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EPA CompTox

DTXSID30992727

Created by admin on Mon Mar 31 23:07:02 GMT 2025 , Edited by admin on Mon Mar 31 23:07:02 GMT 2025

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