.BETA.-HYDROXYORCEIN

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H23NO7
Molecular Weight	485.4847
Optical Activity	( + / - )
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, TRANS

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(O)=CC(O)=C1C2=C(C)C3=NC4=C(OC3=CC2=O)C=C(O)C(=C4C)C5=C(C)C=C(O)C=C5O

InChI

InChIKey=VFUZPBURTIYOPG-UHFFFAOYSA-N

InChI=1S/C28H23NO7/c1-11-5-15(30)7-17(32)23(11)25-13(3)27-21(9-19(25)34)36-22-10-20(35)26(14(4)28(22)29-27)24-12(2)6-16(31)8-18(24)33/h5-10,30-34H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C28H23NO7
Molecular Weight	485.4847
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:37:00 GMT 2025` Edited by `admin` on `Mon Mar 31 20:37:00 GMT 2025`
Record UNII	T5G708D3HQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-HYDROXYORCEIN

Common Name

English

3H-PHENOXAZIN-3-ONE, 2,8-BIS(2,4-DIHYDROXY-6-METHYLPHENYL)-7-HYDROXY-1,9-DIMETHYL-, (2R,8R)-REL-

Preferred Name

English

Code System Code Type Description

CAS

4988-80-1

Created by admin on Mon Mar 31 20:37:00 GMT 2025 , Edited by admin on Mon Mar 31 20:37:00 GMT 2025

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FDA UNII

T5G708D3HQ

Created by admin on Mon Mar 31 20:37:00 GMT 2025 , Edited by admin on Mon Mar 31 20:37:00 GMT 2025

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PUBCHEM

135497143

Created by admin on Mon Mar 31 20:37:00 GMT 2025 , Edited by admin on Mon Mar 31 20:37:00 GMT 2025

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