ARUGOSIN C

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H28O6
Molecular Weight	424.4862
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=CC=C(CC=C(C)C)C(O)=C3C(=O)C4=C(O)C=C(C)C(OC[C@@H]1C(C)(C)O)=C24

InChI

InChIKey=MYJGUMZTENHAAQ-IZHWHUGBSA-N

InChI=1S/C25H28O6/c1-12(2)6-7-14-8-9-17-19(21(14)27)22(28)18-16(26)10-13(3)23-20(18)24(31-17)15(11-30-23)25(4,5)29/h6,8-10,15,24,26-27,29H,7,11H2,1-5H3/t15-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H28O6
Molecular Weight	424.4862
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 16:57:41 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:41 GMT 2023`
Record UNII	FD39J64RWK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARUGOSIN C

Common Name

English

(1)BENZOPYRANO(4,5-BC)(1)BENZOXEPIN-7(2H)-ONE, 1,12A-DIHYDRO-6,8-DIHYDROXY-1-(1-HYDROXY-1-METHYLETHYL)-4-METHYL-9-(3-METHYL-2-BUTEN-1-YL)-, (1R,12AS)-REL-

Systematic Name

English

REL-(1R,12AS)-1,12A-DIHYDRO-6,8-DIHYDROXY-1-(1-HYDROXY-1-METHYLETHYL)-4-METHYL-9-(3-METHYL-2-BUTEN-1-YL)(1)BENZOPYRANO(4,5-BC)(1)BENZOXEPIN-7(2H)-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

191158