Judeol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O7
Molecular Weight	418.4801
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4[C@H](O)C(CO)=C23)C(O)=C(O)C(O)=C1

InChI

InChIKey=PTVABGVMGJFKGM-GHEGTYFOSA-N

InChI=1S/C23H30O7/c1-10-5-14(25)19(27)20(28)16(10)21(29)30-15-8-23(4)13-7-22(2,3)6-11(13)18(26)12(9-24)17(15)23/h5,11,13,15,18,24-28H,6-9H2,1-4H3/t11-,13+,15-,18+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O7
Molecular Weight	418.4801
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 `Wed Apr 02 07:05:12 GMT 2025` Edited by `admin` on `Wed Apr 02 07:05:12 GMT 2025`
Record UNII	N4C387QS47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzoic acid, 2,4,?-trihydroxy-6-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

Preferred Name

English

Judeol

Common Name

English

Benzoic acid, 2,4,?-trihydroxy-6-methyl-, 2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2?,4?,4a?,7a?,7b?)]-

Common Name

English

Benzoic acid, 2,3,4-trihydroxy-6-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

Systematic Name

English

(2r,4s,4ar,7as,7br)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,6,7,7a,7b-octahydro-1h-cyclobuta[e]inden-2-yl 2,3,4-trihydroxy-6-methylbenzoate

Systematic Name

English

Code System Code Type Description

CAS

96571-13-0