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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H39NO4
Molecular Weight 501.6564
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PASPALITREM A

SMILES

CC(C)=CCC1=CC2=C(NC3=C2C[C@@H]4CC[C@@]5(O)C6=CC(=O)[C@@H]7O[C@@]6(CC[C@]5(C)[C@@]34C)OC7(C)C)C=C1

InChI

InChIKey=WCISYVSWAOUFIY-TZHHUJIHSA-N
InChI=1S/C32H39NO4/c1-18(2)7-8-19-9-10-23-21(15-19)22-16-20-11-12-31(35)25-17-24(34)27-28(3,4)37-32(25,36-27)14-13-29(31,5)30(20,6)26(22)33-23/h7,9-10,15,17,20,27,33,35H,8,11-14,16H2,1-6H3/t20-,27-,29+,30+,31+,32-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PASPALITREM A
Common Name English
(3R,5BS,7AS,13BS,13CR,15AS)-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-10-(3-METHYLBUT-2-EN-1-YL)-2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-4H-3,15A-EPOXYOXEPINO(2'',3'':5',6')BENZO(1',2':6,7)INDENO(1,2-B)INDOL-4-ONE
Preferred Name English
4H-3,15A-EPOXY-1-BENZOXEPINO(6',7':6,7)INDENO(1,2-B)INDOL-4-ONE, 2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-10-(3-METHYL-2-BUTEN-1-YL)-, (3R,5BS,7AS,13BS,13CR,15AS)-
Systematic Name English
Code System Code Type Description
FDA UNII
Y875DQ8L6K
Created by admin on Mon Mar 31 22:57:06 GMT 2025 , Edited by admin on Mon Mar 31 22:57:06 GMT 2025
PRIMARY
PUBCHEM
10028978
Created by admin on Mon Mar 31 22:57:06 GMT 2025 , Edited by admin on Mon Mar 31 22:57:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID40980175
Created by admin on Mon Mar 31 22:57:06 GMT 2025 , Edited by admin on Mon Mar 31 22:57:06 GMT 2025
PRIMARY
CAS
63722-90-7
Created by admin on Mon Mar 31 22:57:06 GMT 2025 , Edited by admin on Mon Mar 31 22:57:06 GMT 2025
PRIMARY