ASPOCHALASIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H35NO4
Molecular Weight	401.539
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)C(C)=C[C@@H]2\C=C(C)\CC[C@@H](O)[C@@H](O)\C=C\C3=O

InChI

InChIKey=GCIKKGSNXSCKCP-WBEGXGIOSA-N

InChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+/t16-,17+,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	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:43:32 GMT 2025` Edited by `admin` on `Mon Mar 31 23:43:32 GMT 2025`
Record UNII	SE2RF5V7VG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J157.896K

Preferred Name

English

ASPOCHALASIN D

Common Name

English

(3S,13E,17R,18S,19E,(-))-17,18-DIHYDROXY-14-METHYL-3-(2-METHYLPROPYL)-10-NOR(11)CYTOCHALASA-6,13,19-TRIENE-1,21-DIONE

Systematic Name

English

10-NOR(11)CYTOCHALASA-6,13,19-TRIENE-1,21-DIONE, 17,18-DIHYDROXY-14-METHYL-3-(2-METHYLPROPYL)-, (3S,13E,17R,18S,19E)-

Systematic Name

English

1H-CYCLOUNDEC(D)ISOINDOLE-1,15(2H)-DIONE, 3,3A,4,6A,9,10,11,12-OCTAHYDRO-11,12-DIHYDROXY-4,5,8-TRIMETHYL-3-(2-METHYLPROPYL)-, (3S,3AR,4S,6AS,7E,11R,12S,13E,15AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10318883

Created by admin on Mon Mar 31 23:43:32 GMT 2025 , Edited by admin on Mon Mar 31 23:43:32 GMT 2025

PRIMARY

CAS

71968-02-0

Created by admin on Mon Mar 31 23:43:32 GMT 2025 , Edited by admin on Mon Mar 31 23:43:32 GMT 2025

PRIMARY

EPA CompTox

DTXSID901017699

Created by admin on Mon Mar 31 23:43:32 GMT 2025 , Edited by admin on Mon Mar 31 23:43:32 GMT 2025

PRIMARY

FDA UNII

SE2RF5V7VG

Created by admin on Mon Mar 31 23:43:32 GMT 2025 , Edited by admin on Mon Mar 31 23:43:32 GMT 2025

PRIMARY

Related Record Type Details


					SE2RF5V7VG

ASPOCHALASIN D

ACTIVE MOIETY