ASPOCHALASIN U

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H37NO5
Molecular Weight	419.5543
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](CC(C)C)NC(=O)[C@]13C(=O)C[C@@H](O)[C@H](O)CCC\C(C)=C\[C@@]3([H])[C@H](O)C(C)=C2C

InChI

InChIKey=SFPMHQAHHHIYFM-FUWLHVJZSA-N

InChI=1S/C24H37NO5/c1-12(2)9-17-21-14(4)15(5)22(29)16-10-13(3)7-6-8-18(26)19(27)11-20(28)24(16,21)23(30)25-17/h10,12,16-19,21-22,26-27,29H,6-9,11H2,1-5H3,(H,25,30)/b13-10+/t16-,17-,18+,19+,21-,22+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H37NO5
Molecular Weight	419.5543
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 `Sat Dec 16 11:02:28 GMT 2023` Edited by `admin` on `Sat Dec 16 11:02:28 GMT 2023`
Record UNII	X9D6T538FD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPOCHALASIN U

Common Name

English

1H-CYCLOUNDEC(D)ISOINDOLE-1,15(2H)-DIONE, 3,3A,6,6A,9,10,11,12,13,14-DECAHYDRO-6,12,13-TRIHYDROXY-4,5,8-TRIMETHYL-3-(2-METHYLPROPYL)-, (3S,3AR,6S,6AR,7E,12R,13R,15AR)-

Systematic Name

English

J3.133.727E

Code

English

(3S,3AR,6S,6AR,7E,12R,13R,15AR)-3,3A,6,6A,9,10,11,12,13,14-DECAHYDRO-6,12,13-TRIHYDROXY-4,5,8-TRIMETHYL-3-(2-METHYLPROPYL)-1H-CYCLOUNDECA(D)ISOINDOLE-1,15(2H)-DIONE

Systematic Name

English

Code System Code Type Description

CAS

1360444-55-8

Created by admin on Sat Dec 16 11:02:28 GMT 2023 , Edited by admin on Sat Dec 16 11:02:28 GMT 2023

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PUBCHEM

56950957

Created by admin on Sat Dec 16 11:02:28 GMT 2023 , Edited by admin on Sat Dec 16 11:02:28 GMT 2023

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FDA UNII

X9D6T538FD

Created by admin on Sat Dec 16 11:02:28 GMT 2023 , Edited by admin on Sat Dec 16 11:02:28 GMT 2023

PRIMARY