Pebrolide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30O7
Molecular Weight	430.4908
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OC[C@]1(C)CC[C@@H](O)[C@]2(C)[C@H]3COC(=O)[C@H]3C[C@@H](OC(=O)C4=CC=CC=C4)[C@@H]12

InChI

InChIKey=NFSXLEDHWOLHJQ-LDRBJFAESA-N

InChI=1S/C24H30O7/c1-14(25)30-13-23(2)10-9-19(26)24(3)17-12-29-22(28)16(17)11-18(20(23)24)31-21(27)15-7-5-4-6-8-15/h4-8,16-20,26H,9-13H2,1-3H3/t16-,17-,18+,19+,20-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30O7
Molecular Weight	430.4908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:25:25 GMT 2025` Edited by `admin` on `Mon Mar 31 23:25:25 GMT 2025`
Record UNII	774SH92HAT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pebrolide-

Preferred Name

English

Pebrolide

Common Name

English

[(3aS,5R,5aS,6R,9R,9aR,9bS)-6-(acetyloxymethyl)-9-hydroxy-6,9a-dimethyl-3-oxo-3a,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][2]benzofuran-5-yl] benzoate

Systematic Name

English

Naphtho[1,2-c]furan-3(1H)-one, 6-[(acetyloxy)methyl]-5-(benzoyloxy)decahydro-9-hydroxy-6,9a-dimethyl-, (3aS,5R,5aS,6R,9R,9aR,9bS)-

Systematic Name

English

(3aS,5R,5aS,6R,9R,9aR,9bS)-6-[(Acetyloxy)methyl]-5-(benzoyloxy)decahydro-9-hydroxy-6,9a-dimethylnaphtho[1,2-c]furan-3(1H)-one

Systematic Name

English

6-[(Acetyloxy)methyl]-5-(benzoyloxy)decahydro-9-hydroxy-6,9a-dimethylnaphtho[1,2-c]furan-3(1H)-one, (3aS,5R,5aS,6R,9R,9aR,9bS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

774SH92HAT

Created by admin on Mon Mar 31 23:25:25 GMT 2025 , Edited by admin on Mon Mar 31 23:25:25 GMT 2025

PRIMARY

CAS

79236-15-0

Created by admin on Mon Mar 31 23:25:25 GMT 2025 , Edited by admin on Mon Mar 31 23:25:25 GMT 2025

PRIMARY

PUBCHEM

102117201

Created by admin on Mon Mar 31 23:25:25 GMT 2025 , Edited by admin on Mon Mar 31 23:25:25 GMT 2025

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