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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H47N5O10S
Molecular Weight 837.936
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 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-6?,9-dimethoxy-8-(methoxymethoxy)-4,10,23-trimethyl-19-o

SMILES

[H][C@@]12CC3=CC(C)=C(OC)C(OCOC)=C3[C@@]([H])(N1C)[C@]4([H])[C@@H]5SC[C@]6(NCCC7=C6NC8=C7C=C(OC)C=C8)C(=O)OC[C@H](N4[C@H]2C#N)C9=C5C(OC(C)=O)=C(C)C%10=C9OCO%10

InChI

InChIKey=KICNXVAUQKOPAC-ZGHBZERSSA-N
InChI=1S/C44H47N5O10S/c1-20-12-23-13-28-29(15-45)49-30-16-55-43(51)44(42-25(10-11-46-44)26-14-24(53-6)8-9-27(26)47-42)17-60-41(33-32(30)40-38(57-19-58-40)21(2)37(33)59-22(3)50)35(49)34(48(28)4)31(23)39(36(20)54-7)56-18-52-5/h8-9,12,14,28-30,34-35,41,46-47H,10-11,13,16-19H2,1-7H3/t28-,29-,30-,34+,35+,41+,44+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
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-6?,9-dimethoxy-8-(methoxymethoxy)-4,10,23-trimethyl-19-o
Preferred Name English
Code System Code Type Description
PUBCHEM
171390193
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY
FDA UNII
GPX66GJ9DZ
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY
CAS
2728715-39-5
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY