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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H49NO9.C2H4O2
Molecular Weight 651.7847
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CEVADINE ACETATE

SMILES

CC(O)=O.[H][C@@]12CC[C@@]3([H])[C@]4(O)C[C@H](O)[C@@]5(O)[C@@]([H])(CN6C[C@@H](C)CC[C@@]6([H])[C@@]5(C)O)[C@]4(O)C[C@@]37O[C@]1(O)[C@H](CC[C@@]27C)OC(=O)C(\C)=C/C

InChI

InChIKey=UTIZDAOWUOTMBX-NYEXZGBJSA-N
InChI=1S/C32H49NO9.C2H4O2/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36;1-2(3)4/h6,17,19-24,34,36-40H,7-16H2,1-5H3;1H3,(H,3,4)/b18-6-;/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32?;/m0./s1

HIDE SMILES / InChI

Molecular Formula C32H49NO9
Molecular Weight 591.7328
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:40 UTC 2023
Edited
by admin
on Sat Dec 16 09:13:40 UTC 2023
Record UNII
4SDI43AD5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEVADINE ACETATE
Common Name English
CEVANE-3,4,12,14,16,17,20-HEPTOL, 4,9-EPOXY-, MONOACETATE (ESTER) 3-(2-METHYL-2-BUTENOATE), (3.BETA.(Z),4.ALPHA.,16.BETA.)-
Systematic Name English
CEVADINE MONOACETATE
Common Name English
Code System Code Type Description
FDA UNII
4SDI43AD5Q
Created by admin on Sat Dec 16 09:13:40 UTC 2023 , Edited by admin on Sat Dec 16 09:13:40 UTC 2023
PRIMARY
CAS
63982-55-8
Created by admin on Sat Dec 16 09:13:40 UTC 2023 , Edited by admin on Sat Dec 16 09:13:40 UTC 2023
PRIMARY
PUBCHEM
91799738
Created by admin on Sat Dec 16 09:13:40 UTC 2023 , Edited by admin on Sat Dec 16 09:13:40 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY