AECHL-1

Details

Stereochemistry	UNKNOWN
Molecular Formula	C29H36O10
Molecular Weight	544.5901
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C3=C(C(C)=CC(O)=C3OCC)C(C)=C4OC(=O)[C@H](OC(=O)C(C)(O)CC)[C@@]5([H])C(=C)[C@@H](OCC)[C@]1(O)OC[C@]245

InChI

InChIKey=JTJLRAHVRLDLGC-PXAVMNNWSA-N

InChI=1S/C29H36O10/c1-8-27(7,33)26(32)38-21-19-15(6)24(36-10-3)29(34)22-18-17(13(4)11-16(30)20(18)35-9-2)14(5)23(39-25(21)31)28(19,22)12-37-29/h11,19,21-22,24,30,33-34H,6,8-10,12H2,1-5,7H3/t19-,21-,22-,24-,27?,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H36O10
Molecular Weight	544.5901
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:18:26 GMT 2023` Edited by `admin` on `Sat Dec 16 08:18:26 GMT 2023`
Record UNII	50JLJ1Z4KG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AECHL-1

Common Name

English

BUTANOIC ACID, 2-HYDROXY-2-METHYL-, (1R,2R,3AS,4R,11BR,11CS)-2,11-DIETHOXY-1,3,3A,4,5,11B-HEXAHYDRO-1,10-DIHYDROXY-7,8-DIMETHYL-3-METHYLENE-5-OXO-2H-1,11C-(EPOXYMETHANO)PHENANTHRO(10,1-BC)PYRAN-4-YL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

50JLJ1Z4KG

Created by admin on Sat Dec 16 08:18:26 GMT 2023 , Edited by admin on Sat Dec 16 08:18:26 GMT 2023

PRIMARY

CAS

1198210-11-5

Created by admin on Sat Dec 16 08:18:26 GMT 2023 , Edited by admin on Sat Dec 16 08:18:26 GMT 2023

PRIMARY

PUBCHEM

72941991

Created by admin on Sat Dec 16 08:18:26 GMT 2023 , Edited by admin on Sat Dec 16 08:18:26 GMT 2023

PRIMARY

Related Record Type Details


					50JLJ1Z4KG

AECHL-1

ACTIVE MOIETY