RO-5-2537

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NCATS

Details

Stereochemistry	UNKNOWN
Molecular Formula	C18H24O2
Molecular Weight	272.382
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 5
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure of RO-5-2537

Structure Search

SMILES

CC(O)(C#C)C1CCC2C(CCC3=CC(=O)CCC23)C1

InChI

InChIKey=VSAHVVNEPMRFPK-UHFFFAOYSA-N

InChI=1S/C18H24O2/c1-3-18(2,20)14-6-8-16-12(10-14)4-5-13-11-15(19)7-9-17(13)16/h1,11-12,14,16-17,20H,4-10H2,2H3

HIDE SMILES / InChI

Molecular Formula	C18H24O2
Molecular Weight	272.382
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:45:59 GMT 2025` Edited by `admin` on `Mon Mar 31 17:45:59 GMT 2025`
Record UNII	R1O6MXI51T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO-5-2537

Code

English

2(3H)-PHENANTHRENONE, 4,4A,4B,5,6,7,8,8A,9,10-DECAHYDRO-7-(1-HYDROXY-1-METHYL-2-PROPYN-1-YL)-

Preferred Name

English

4,4A,4B,5,6,7,8,8A,9,10-DECAHYDRO-7-(1-HYDROXY-1-METHYL-2-PROPYN-1-YL)-2(3H)-PHENANTHRENONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10274937

Created by admin on Mon Mar 31 17:45:59 GMT 2025 , Edited by admin on Mon Mar 31 17:45:59 GMT 2025

PRIMARY

PUBCHEM

31853

Created by admin on Mon Mar 31 17:45:59 GMT 2025 , Edited by admin on Mon Mar 31 17:45:59 GMT 2025

PRIMARY

FDA UNII

R1O6MXI51T

Created by admin on Mon Mar 31 17:45:59 GMT 2025 , Edited by admin on Mon Mar 31 17:45:59 GMT 2025

PRIMARY

CAS

605-57-2

Created by admin on Mon Mar 31 17:45:59 GMT 2025 , Edited by admin on Mon Mar 31 17:45:59 GMT 2025

PRIMARY

CAS

23294-32-8

Created by admin on Mon Mar 31 17:45:59 GMT 2025 , Edited by admin on Mon Mar 31 17:45:59 GMT 2025

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