14-NORPSEUROTIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23NO8
Molecular Weight	417.4092
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@]1(NC(=O)[C@]2(OC([C@@H](O)[C@@H](O)\C=C/C)=C(C)C2=O)[C@H]1O)C(=O)C3=CC=CC=C3

InChI

InChIKey=FCGCMRDADMTJIM-LFDIKFNASA-N

InChI=1S/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4-/t13-,14-,18+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H23NO8
Molecular Weight	417.4092
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:29 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:29 GMT 2023`
Record UNII	A3BLJ3WUH2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

14-NORPSEUROTIN A

Common Name

English

1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE, 8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-PENTEN-1-YL)-9-HYDROXY-8-METHOXY-3-METHYL-, (5S,8S,9R)-

Systematic Name

English

(5S,8S,9R)-8-BENZOYL-2-((1S,2S,3Z)-1,2-DIHYDROXY-3-PENTEN-1-YL)-9-HYDROXY-8-METHOXY-3-METHYL-1-OXA-7-AZASPIRO(4.4)NON-2-ENE-4,6-DIONE

Systematic Name

English

Code System Code Type Description

CAS

1031727-34-0