2-Propen-1-yl (6S,6aR,7R,13S,14R,16R)-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-16-(hydroxymethyl)-9-methoxy-4,10-dimethyl-8-(2-propen-1-yloxy)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H35N3O9
Molecular Weight	605.635
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Propen-1-yl (6S,6aR,7R,13S,14R,16R)-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-16-(hydroxymethyl)-9-methoxy-4,10-dimethyl-8-(2-propen-1-yloxy)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylate

Structure Search

SMILES

COC1=C(C)C=C2C[C@H]3[C@H](C#N)N4[C@@H](CO)C5=C6OCOC6=C(C)C(O)=C5[C@H](O)[C@H]4[C@H](N3C(=O)OCC=C)C2=C1OCC=C

InChI

InChIKey=HCBFKOKVVHKUIH-NKFXOELJSA-N

InChI=1S/C32H35N3O9/c1-6-8-41-30-21-17(10-15(3)28(30)40-5)11-18-19(12-33)34-20(13-36)22-23(26(37)16(4)29-31(22)44-14-43-29)27(38)25(34)24(21)35(18)32(39)42-9-7-2/h6-7,10,18-20,24-25,27,36-38H,1-2,8-9,11,13-14H2,3-5H3/t18-,19-,20-,24+,25+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H35N3O9
Molecular Weight	605.635
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:21:02 GMT 2025` Edited by `admin` on `Wed Apr 02 21:21:02 GMT 2025`
Record UNII	52N2JE972B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7,13-Imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylic acid, 14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-16-(hydroxymethyl)-9-methoxy-4,10-dimethyl-8-(2-propen-1-yloxy)-, 2-propen-1-yl ester, (6S,6aR,7R,13S,14R,16R)-

Preferred Name

English

2-Propen-1-yl (6S,6aR,7R,13S,14R,16R)-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-16-(hydroxymethyl)-9-methoxy-4,10-dimethyl-8-(2-propen-1-yloxy)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

52N2JE972B

Created by admin on Wed Apr 02 21:21:02 GMT 2025 , Edited by admin on Wed Apr 02 21:21:02 GMT 2025

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PUBCHEM

57772307

Created by admin on Wed Apr 02 21:21:02 GMT 2025 , Edited by admin on Wed Apr 02 21:21:02 GMT 2025

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CAS

874758-68-6

Created by admin on Wed Apr 02 21:21:02 GMT 2025 , Edited by admin on Wed Apr 02 21:21:02 GMT 2025

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