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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H53NO10.C2H4O2
Molecular Weight 695.8373
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERMIDINE ACETATE

SMILES

CC(O)=O.[H][C@@]12C[C@]34O[C@]5(O)[C@H](CC[C@@]3(C)[C@]5([H])C[C@@H](O)[C@@]4([H])[C@]1(O)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O)OC(C)=O

InChI

InChIKey=COLSTKGTXHWDMN-XZHSCARHSA-N
InChI=1S/C34H53NO10.C2H4O2/c1-7-17(3)29(39)44-28-26(38)25-19(15-35-14-16(2)8-9-23(35)31(25,6)40)20-13-32-27(33(20,28)41)21(37)12-22-30(32,5)11-10-24(43-18(4)36)34(22,42)45-32;1-2(3)4/h16-17,19-28,37-38,40-42H,7-15H2,1-6H3;1H3,(H,3,4)/t16-,17+,19-,20-,21+,22-,23-,24-,25+,26+,27+,28-,30-,31+,32+,33-,34?;/m0./s1

HIDE SMILES / InChI

Molecular Formula C34H53NO10
Molecular Weight 635.7853
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
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 08:45:16 GMT 2023
Edited
by admin
on Sat Dec 16 08:45:16 GMT 2023
Record UNII
Z17DQH1MP3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GERMIDINE ACETATE
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3-ACETATE 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-, ACETATE
Common Name English
Code System Code Type Description
FDA UNII
Z17DQH1MP3
Created by admin on Sat Dec 16 08:45:16 GMT 2023 , Edited by admin on Sat Dec 16 08:45:16 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY