NSC-642328

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H28N2O7
Molecular Weight	516.5418
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(O)C(OC)=C3)C4=CC(OC)=C(OC)C=C4[C@H]2NC5=CC=C(C=C5)C#N

InChI

InChIKey=WGEAIKSPJFUISL-ULBKPHCJSA-N

InChI=1S/C29H28N2O7/c1-34-21-11-18-19(12-22(21)35-2)27(31-17-7-5-15(13-30)6-8-17)20-14-38-29(33)26(20)25(18)16-9-23(36-3)28(32)24(10-16)37-4/h5-12,20,25-27,31-32H,14H2,1-4H3/t20-,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H28N2O7
Molecular Weight	516.5418
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:44:56 GMT 2023` Edited by `admin` on `Sat Dec 16 12:44:56 GMT 2023`
Record UNII	3FWX866PK4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-642328

Code

English

4-{[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-4-yl]amino}benzonitrile

Systematic Name

English

Benzonitrile, 4-[[1,3,3a,4,9,9a-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxonaphtho[2,3-c]furan-4-yl]amino]-, [3aS-(3aα,4β,9α,9aβ)]-

Systematic Name

English

4-[[(3aS,4S,9R,9aR)-1,3,3a,4,9,9a-Hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxonaphtho[2,3-c]furan-4-yl]amino]benzonitrile

Systematic Name

English

Benzonitrile, 4-[[(3aS,4S,9R,9aR)-1,3,3a,4,9,9a-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxonaphtho[2,3-c]furan-4-yl]amino]-

Systematic Name

English

Code System Code Type Description

NSC

642328