SHORTOLIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O5
Molecular Weight	416.5503
Optical Activity	( + )
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@]3([H])[C@](C)(CCC4=CC(=O)OC4)[C@H](C)[C@H](C[C@@]3(C)[C@]1(C)O2)OC(=O)C(\C)=C/C

InChI

InChIKey=URRSOXWGRAMYOW-GACOYEMDSA-N

InChI=1S/C25H36O5/c1-7-15(2)22(27)29-18-13-24(5)19(8-9-20-25(24,6)30-20)23(4,16(18)3)11-10-17-12-21(26)28-14-17/h7,12,16,18-20H,8-11,13-14H2,1-6H3/b15-7-/t16-,18+,19+,20-,23-,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O5
Molecular Weight	416.5503
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:35 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:35 GMT 2023`
Record UNII	3UD72E6T3Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SHORTOLIDE A

Common Name

English

CROTONIC ACID, 2-METHYL-, ESTER WITH 4-(2-(5,6-EPOXY-1,2,3,4,4A,5,6,7,8,8A.ALPHA.-DECAHYDRO-3.ALPHA.-HYDROXY-1.BETA.,2.BETA.,4A.BETA.,5-TETRAMETHYL-1-NAPHTHYL)ETHYL)-2(5H)-FURANONE, (Z)-

Systematic Name

English

2-BUTENOIC ACID, 2-METHYL-, (1AR,3AS,4S,5S,6S,7AR,7BS)-4-(2-(2,5-DIHYDRO-5-OXO-3-FURANYL)ETHYL)DECAHYDRO-4,5,7A,7B-TETRAMETHYLNAPHTH(1,2-B)OXIREN-6-YL ESTER, (2Z)-

Systematic Name

English

(1AR,3AS,4S,5S,6S,7AR,7BS)-4-(2-(2,5-DIHYDRO-5-OXO-3-FURANYL)ETHYL)DECAHYDRO-4,5,7A,7B-TETRAMETHYLNAPHTH(1,2-B)OXIREN-6-YL (2Z)-2-METHYL-2-BUTENOATE

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Shortolide A