CP-55244, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H42O3
Molecular Weight	402.6099
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](CO)C[C@@]1([H])[C@@H](C[C@H](O)C2)C3=C(O)C=C(C=C3)C(C)(C)CCCCCC

InChI

InChIKey=ZAELPWSCABXXAB-NWXGMGMZSA-N

InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H42O3
Molecular Weight	402.6099
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:16 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:16 GMT 2023`
Record UNII	3HMR7H9HX8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-55244, (±)-

Common Name

English

rel-(2R,4aR,6S,8S,8aS)-8-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]decahydro-6-hydroxy-2-naphthalenemethanol

Systematic Name

English

2-NAPHTHALENEMETHANOL, 8-(4-(1,1-DIMETHYLHEPTYL)-2-HYDROXYPHENYL)DECAHYDRO-6-HYDROXY-, (2ALPHA,4ABETA,6ALPHA,8ALPHA,8AALPHA)-(+-)-

Common Name

English

CP-55,244

Code

English

2-Naphthalenemethanol, 8-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]decahydro-6-hydroxy-, (2R,4aR,6S,8S,8aS)-rel-

Systematic Name

English

Code System Code Type Description

CAS

79678-32-3