Aspochalasin J

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H35NO4
Molecular Weight	401.539
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1NC(=O)[C@@]23OC(=O)\C=C\[C@@H](O)CCC\C(C)=C\[C@H]2C=C(C)[C@@H](C)[C@@H]13

InChI

InChIKey=HXVGXVHKKDWYHZ-CEEOZWHRSA-N

InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)/b10-9+,15-12+/t17-,18+,19+,20+,22+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H35NO4
Molecular Weight	401.539
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:09:23 GMT 2025` Edited by `admin` on `Mon Mar 31 23:09:23 GMT 2025`
Record UNII	XPX4JR6RTN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J2.030.311E

Preferred Name

English

Aspochalasin J

Common Name

English

(1S,2E,8E,12R,16S)-3,17.ALPHA.,18-TRIMETHYL-7.ALPHA.-HYDROXY-15.BETA.-(2-METHYLPROPYL)-11-OXA-14-AZATRICYCLO(10.7.0.012,16)NONADECANE-2,8,18-TRIENE-10,13-DIONE

Systematic Name

English

2H-Oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione, 6,7,8,10a,13,13a,14,15-octahydro-5-hydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-, (3E,5S,9E,10aS,13S,13aS,14S,16aR)-

Systematic Name

English

(3E,5S,9E,10aS,13S,13aS,14S,16aR)-6,7,8,10a,13,13a,14,15-Octahydro-5-hydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione

Systematic Name

English

6,7,8,10a,13,13a,14,15-Octahydro-5-hydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione, (3E,5S,9E,10aS,13S,13aS,14S,16aR)-

Systematic Name

English

Code System Code Type Description

CAS

670225-70-4

Created by admin on Mon Mar 31 23:09:23 GMT 2025 , Edited by admin on Mon Mar 31 23:09:23 GMT 2025

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FDA UNII

XPX4JR6RTN

Created by admin on Mon Mar 31 23:09:23 GMT 2025 , Edited by admin on Mon Mar 31 23:09:23 GMT 2025

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PUBCHEM

21576439

Created by admin on Mon Mar 31 23:09:23 GMT 2025 , Edited by admin on Mon Mar 31 23:09:23 GMT 2025

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