SAMIDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O7
Molecular Weight	386.3952
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)OC2=CC=C3C=CC(=O)OC3=C12

InChI

InChIKey=FNVCLGWRMXTDSM-WOJBJXKFSA-N

InChI=1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O7
Molecular Weight	386.3952
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:11:48 UTC 2023` Edited by `admin` on `Sat Dec 16 14:11:48 UTC 2023`
Record UNII	H96WTV8SM2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SAMIDIN

Common Name

English

(+)-SAMIDIN

Common Name

English

2-BUTENOIC ACID, 3-METHYL-, 10-(ACETYLOXY)-9,10-DIHYDRO-8,8-DIMETHYL-2-OXO-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-9-YL ESTER, (9R-CIS)-

Systematic Name

English

CROTONIC ACID, 3-METHYL-, 9-ESTER WITH 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE ACETATE

Systematic Name

English

2-BUTENOIC ACID, 3-METHYL-, (9R,10R)-10-(ACETYLOXY)-9,10-DIHYDRO-8,8-DIMETHYL-2-OXO-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-9-YL ESTER

Systematic Name

English

Code System Code Type Description

CAS

477-33-8

Created by admin on Sat Dec 16 14:11:48 UTC 2023 , Edited by admin on Sat Dec 16 14:11:48 UTC 2023

PRIMARY

EPA CompTox

DTXSID00963904

Created by admin on Sat Dec 16 14:11:48 UTC 2023 , Edited by admin on Sat Dec 16 14:11:48 UTC 2023

PRIMARY

PUBCHEM

442150

Created by admin on Sat Dec 16 14:11:48 UTC 2023 , Edited by admin on Sat Dec 16 14:11:48 UTC 2023

PRIMARY

FDA UNII

H96WTV8SM2

Created by admin on Sat Dec 16 14:11:48 UTC 2023 , Edited by admin on Sat Dec 16 14:11:48 UTC 2023

PRIMARY