CANDICUSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H38N2O6
Molecular Weight	594.6967
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C3[C@@H](CC4=CC=C(OC5=CC(C[C@H]6N(C)CCC7=CC(OC)=C(OC3=C1O)C=C67)=CC=C5O)C=C4)N(C)CC2

InChI

InChIKey=LFFQVHXIFJLJSP-VSGBNLITSA-N

InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H38N2O6
Molecular Weight	594.6967
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 `Wed Apr 02 12:06:22 GMT 2025` Edited by `admin` on `Wed Apr 02 12:06:22 GMT 2025`
Record UNII	QTG6DMK4KC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CANDICUSINE

Common Name

English

(+)-12-O-DEMETHYLLIMACUSINE

Preferred Name

English

CANDICUSINE, (+)-

Common Name

English

(1R,14R)-20,25-DIMETHOXY-15,30-DIMETHYL-8,23-DIOXA-15,30-DIAZAHEPTACYCLO(22.6.2.2(9,12).1(3,7).1(14,18).0(27,31).0(22,33))HEXATRIACONTA-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-DODECAENE-6,21-DIOL

Systematic Name

English

(+)-CANDICUSINE

Common Name

English

OXYACANTHAN-7,12'-DIOL, 6,6'-DIMETHOXY-2,2'-DIMETHYL-, (1.ALPHA.)-

Systematic Name

English

2H-1,24:12,15-DIETHENO-6,10-METHENO-16H-PYRIDO(2',3':17,18)(1,10)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE-9,22-DIOL, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-21,26-DIMETHOXY-4,17-DIMETHYL-, (4AR,16AR)-

Systematic Name

English

Code System Code Type Description

CAS

99945-41-2

Created by admin on Wed Apr 02 12:06:22 GMT 2025 , Edited by admin on Wed Apr 02 12:06:22 GMT 2025

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FDA UNII

QTG6DMK4KC

Created by admin on Wed Apr 02 12:06:22 GMT 2025 , Edited by admin on Wed Apr 02 12:06:22 GMT 2025

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PUBCHEM

3246346

Created by admin on Wed Apr 02 12:06:22 GMT 2025 , Edited by admin on Wed Apr 02 12:06:22 GMT 2025

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