2'-ANGELOYL-3'-ISOVALERYL VAGINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H28O7
Molecular Weight	428.4749
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2'-ANGELOYL-3'-ISOVALERYL VAGINATE

Structure Search

SMILES

C\C=C(\C)C(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C

InChI

InChIKey=HQKAYCHMYMSSEQ-MKKZQTCBSA-N

InChI=1S/C24H28O7/c1-7-14(4)23(27)30-21-19-16(10-8-15-9-11-17(25)29-20(15)19)28-22(21)24(5,6)31-18(26)12-13(2)3/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H28O7
Molecular Weight	428.4749
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:29:56 UTC 2023` Edited by `admin` on `Sat Dec 16 09:29:56 UTC 2023`
Record UNII	YP5N29S4PB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-ANGELOYL-3'-ISOVALERYL VAGINATE

Common Name

English

2-BUTENOIC ACID, 2-METHYL-, 8,9-DIHYDRO-8-(1-METHYL-1-(3-METHYL-1-OXOBUTOXY)ETHYL)-2-OXO-2H-FURO(2,3-H)-1-BENZOPYRAN-9-YL ESTER, (8S-(8.ALPHA.,9.ALPHA.(Z)))-

Systematic Name

English

((8S,9R)-8-(2-(3-METHYLBUTANOYLOXY)PROPAN-2-YL)-2-OXO-8,9-DIHYDROFURO(2,3-H)CHROMEN-9-YL) (Z)-2-METHYLBUT-2-ENOATE

Systematic Name

English

2-BUTENOIC ACID, 2-METHYL-, (8S,9R)-8,9-DIHYDRO-8-(1-METHYL-1-(3-METHYL-1-OXOBUTOXY)ETHYL)-2-OXO-2H-FURO(2,3-H)-1-BENZOPYRAN-9-YL ESTER, (2Z)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

46187005

Created by admin on Sat Dec 16 09:29:56 UTC 2023 , Edited by admin on Sat Dec 16 09:29:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID901100903

Created by admin on Sat Dec 16 09:29:56 UTC 2023 , Edited by admin on Sat Dec 16 09:29:56 UTC 2023

PRIMARY

FDA UNII

YP5N29S4PB

Created by admin on Sat Dec 16 09:29:56 UTC 2023 , Edited by admin on Sat Dec 16 09:29:56 UTC 2023

PRIMARY

CAS

143061-67-0

Created by admin on Sat Dec 16 09:29:56 UTC 2023 , Edited by admin on Sat Dec 16 09:29:56 UTC 2023

PRIMARY

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