ISOAUSTIN

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 Search

SMILES

C[C@H]1OC(=O)[C@@]23C(=C)[C@@](C)(CC4=C(C)[C@]5(C=CC(=O)OC5(C)C)[C@@H](C[C@]24C)OC(C)=O)OC(=O)[C@]13O

InChI

InChIKey=SLCHGQPSMLGFMX-MCLJPEIISA-N

InChI=1S/C27H32O9/c1-13-17-11-24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(17,7)12-18(34-16(4)28)25(13)10-9-19(29)35-22(25,5)6/h9-10,15,18,32H,2,11-12H2,1,3-8H3/t15-,18-,23+,24-,25-,26+,27-/m1/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 `Tue Apr 01 17:40:36 GMT 2025` Edited by `admin` on `Tue Apr 01 17:40:36 GMT 2025`
Record UNII	7Z5M6CBZ0P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-ISOAUSTIN

Preferred Name

English

ISOAUSTIN

Common 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, 10-(ACETYLOXY)-6,7,11,11A-TETRAHYDRO-3A-HYDROXY-2',2',3,6,8,11A-HEXAMETHYL-12-METHYLENE-, (3R,3'R,3AR,6R,10R,11AS,11BR)-

Systematic Name

English

AUSTIN, 5-(ACETYLOXY)-17-DE(ACETYLOXY)-, (5.BETA.)-

Systematic Name

English

ISOAUSTIN, (+)-

Common Name

English

Code System Code Type Description

CAS

85066-64-4

Created by admin on Tue Apr 01 17:40:36 GMT 2025 , Edited by admin on Tue Apr 01 17:40:36 GMT 2025

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EPA CompTox

DTXSID501098279

Created by admin on Tue Apr 01 17:40:36 GMT 2025 , Edited by admin on Tue Apr 01 17:40:36 GMT 2025

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PUBCHEM

122706880

Created by admin on Tue Apr 01 17:40:36 GMT 2025 , Edited by admin on Tue Apr 01 17:40:36 GMT 2025

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FDA UNII

7Z5M6CBZ0P

Created by admin on Tue Apr 01 17:40:36 GMT 2025 , Edited by admin on Tue Apr 01 17:40:36 GMT 2025

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