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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H23NO5
Molecular Weight 309.3575
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRISPATINE

SMILES

C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@]1(C)O)[C@@H]23

InChI

InChIKey=PSUFRPOAICRSTC-RCJVZNENSA-N
InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H23NO5
Molecular Weight 309.3575
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:45:50 GMT 2025
Edited
by admin
on Mon Mar 31 23:45:50 GMT 2025
Record UNII
TXC0AS8ULR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRISPATINE
Common Name English
J2.238A
Preferred Name English
NSC-89933
Code English
13-EPIFULVINE
Common Name English
2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,10,12,13,13A,13B-OCTAHYDRO-4-HYDROXY-3,4,5-TRIMETHYL-, (3R,4R,5S,13AR,13BR)-
Systematic Name English
20-NORCROTALANAN-11,15-DIONE, 14,19-DIHYDRO-13-HYDROXY-, (14.ALPHA.)-
Common Name English
14.ALPHA.,19-DIHYDRO-13-HYDROXY-20-NORCROTALANAN-11,15-DIONE
Systematic Name English
Code System Code Type Description
CAS
6029-88-5
Created by admin on Mon Mar 31 23:45:50 GMT 2025 , Edited by admin on Mon Mar 31 23:45:50 GMT 2025
PRIMARY
NSC
89933
Created by admin on Mon Mar 31 23:45:50 GMT 2025 , Edited by admin on Mon Mar 31 23:45:50 GMT 2025
PRIMARY
PUBCHEM
21573657
Created by admin on Mon Mar 31 23:45:50 GMT 2025 , Edited by admin on Mon Mar 31 23:45:50 GMT 2025
PRIMARY
FDA UNII
TXC0AS8ULR
Created by admin on Mon Mar 31 23:45:50 GMT 2025 , Edited by admin on Mon Mar 31 23:45:50 GMT 2025
PRIMARY