Melleolide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O6
Molecular Weight	400.4648
Optical Activity	( + )
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]4C=C(C=O)[C@]23O)C(O)=CC(O)=C1

InChI

InChIKey=SJZRUQOYQZRISL-IDOJSZHESA-N

InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3/t13-,16+,18-,22-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O6
Molecular Weight	400.4648
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 19:16:24 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:24 GMT 2025`
Record UNII	6Z3PMG7GAW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-369505

Preferred Name

English

Melleolide

Common Name

English

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

Systematic Name

English

Code System Code Type Description

NSC

369505