HERNANDEZINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H44N2O7
Molecular Weight	652.7759
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC3=CC=C(OC4=C(OC)C=CC(C[C@]5([H])N(C)CCC6=C(OC)C(OC)=C(OC)C(OC7=CC1=C(CCN2C)C=C7OC)=C56)=C4)C=C3

InChI

InChIKey=FUZMQNZACIFDBL-KYJUHHDHSA-N

InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H44N2O7
Molecular Weight	652.7759
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:37:10 UTC 2023` Edited by `admin` on `Sat Dec 16 17:37:10 UTC 2023`
Record UNII	HPH24MXX7G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HERNANDEZINE

Common Name

English

BERBAMAN, 5,6,6',7,12-PENTAMETHOXY-2,2'-DIMETHYL-, (1.BETA.)-

Systematic Name

English

(4AS,16AS)-3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,20,21,22,26-PENTAMETHOXY-4,17-DIMETHYL-16H-1,24:6,9-DIETHENO-11,15-METHENO-2H-PYRIDO(2',3':17,18)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40216926