[(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5-hydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H43N5O9S
Molecular Weight	793.884
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5-hydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indol

Structure Search

SMILES

[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4NC6=C5C=C(OC)C=C6)C(=O)OC[C@H](N1[C@@H](C#N)[C@@H]7CC8=CC(C)=C(OC)C(O)=C8[C@H]2N7C)C9=C%10OCOC%10=C(C)C(OC(C)=O)=C39

InChI

InChIKey=OJUPEBBWFNRGSQ-DJDATSNHSA-N

InChI=1S/C42H43N5O9S/c1-18-11-21-12-26-27(14-43)47-28-15-53-41(50)42(40-23(9-10-44-42)24-13-22(51-5)7-8-25(24)45-40)16-57-39(33(47)32(46(26)4)29(21)34(49)35(18)52-6)31-30(28)38-37(54-17-55-38)19(2)36(31)56-20(3)48/h7-8,11,13,26-28,32-33,39,44-45,49H,9-10,12,15-17H2,1-6H3/t26-,27-,28-,32+,33+,39+,42+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

[(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5-hydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indol

Systematic Name

English

Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1?-[1H]pyrido[3,4-b]indole]-14-carbonitrile, 5-(acetyloxy)-2?,3?,4?,6,6a,7,9?,13,14,16-decahydro-8-hydroxy-6?,9-dimethoxy-4,10,23-trimethyl-19-oxo-, (1?R

Preferred Name

English

Code System Code Type Description

FDA UNII

5UR6EG57HJ

Created by admin on Wed Apr 02 19:47:23 GMT 2025 , Edited by admin on Wed Apr 02 19:47:23 GMT 2025

PRIMARY

PUBCHEM

166591429

Created by admin on Wed Apr 02 19:47:23 GMT 2025 , Edited by admin on Wed Apr 02 19:47:23 GMT 2025

PRIMARY

CAS

497871-10-0

Created by admin on Wed Apr 02 19:47:23 GMT 2025 , Edited by admin on Wed Apr 02 19:47:23 GMT 2025

PRIMARY

SUBSTANCE RECORD


					5UR6EG57HJ

[(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5-hydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indol