ACETYLARANOTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H20N2O8S2
Molecular Weight	504.533
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=COC=C[C@H](OC(C)=O)[C@H]6N5C3=O)C(=O)N4[C@H]12

InChI

InChIKey=OHTZNUUGYPDWEB-NEEVBFIGSA-N

InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3/t15-,16-,17-,18-,21+,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H20N2O8S2
Molecular Weight	504.533
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:48:56 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:56 GMT 2025`
Record UNII	VPJ3BS923N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETYLARANOTIN

Common Name

English

A21101 II

Preferred Name

English

(-)-ACETYLARANOTIN

Common Name

English

8H,16H-7A,15A-EPIDITHIO-7H,15H-BISOXEPINO(3',4':4,5)PYRROLO(1,2-A:1',2'-D)PYRAZINE-7,15-DIONE, 5,13-BIS(ACETYLOXY)-5,5A,13,13A-TETRAHYDRO-, (5S,5AS,7AR,13S,13AS,15AR)-

Common Name

English

ACETYLARANOTIN [MI]

Common Name

English

LL-S88.ALPHA.

Code

English

Code System Code Type Description

FDA UNII

VPJ3BS923N