HEXACYCLINOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O7
Molecular Weight	416.4642
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]1([H])C(=O)[C@@]34[C@H](O[C@@H]2[C@@]3([H])[C@]5([H])[C@@H](O)[C@]6([H])O[C@]6([H])C(=O)C5=C[C@@H]4C(C)(C)OC)C=C(C)C

InChI

InChIKey=PFZFRWWDGXFULQ-NHFKQXEKSA-N

InChI=1S/C23H28O7/c1-8(2)6-11-23-10(22(3,4)27-5)7-9-12(15(25)18-17(29-18)14(9)24)13(23)16(28-11)19-20(30-19)21(23)26/h6-7,10-13,15-20,25H,1-5H3/t10-,11-,12-,13-,15-,16-,17-,18+,19+,20+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O7
Molecular Weight	416.4642
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:11:04 GMT 2023` Edited by `admin` on `Sat Dec 16 16:11:04 GMT 2023`
Record UNII	UG4YWN1CPX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXACYCLINOL

Common Name

English

(1AS,2AS,3S,5AS,6AS,7R,7AS,7BS,8R,8AS,10R)-7-HYDROXY-3-(1-METHOXY-1-METHYLETHYL)-10-(2-METHYL-1-PROPENYL)-1A,5A,6A,7,7A,7B,8,8A-OCTAHYDRO-2H-8,2A-(EPOXYMETHANO)PHENANTHRO(2,3-B:6,7-B')BISOXIRENE-2,5(3H)-DIONE

Common Name

English

(+)-HEXACYCLINOL

Common Name

English

(2AS,3R,5AR,6AS,7R,8R,8AS,10R)-7-HYDROXY-3-(1-METHOXY-1-METHYLETHYL)-10-(2-METHYLPROP-1-EN-1-YL)-1A,5A,6A,7,7A,7B,8,8A-OCTAHYDRO-2H-8,2A-(EPOXYMETHANO)PHENANTHRO(2,3-B:6,7-B')BISOXIRENE-2,5(3H)-DIONE

Systematic Name

English

HEXACYCLINOL [MI]

Common Name

English

2H-8,2A-(EPOXYMETHANO)PHENANTHRO(2,3-B:6,7-B')BISOXIRENE-2,5(3H)-DIONE, 1A,5A,6A,7,7A,7B,8,8A-OCTAHYDRO-7-HYDROXY-3-(1-METHOXY-1-METHYLETHYL)-10-(2-METHYL-1-PROPEN-1-YL)-, (1AS,2AS,3S,5AS,6AS,7R,7AS,7BS,8R,8AS,10R)-

Common Name

English

Code System Code Type Description

MERCK INDEX

m11812