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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H59NO11.C2H4O2
Molecular Weight 753.9164
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERMERINE ACETATE

SMILES

CC(O)=O.CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]4C[C@@]56O[C@@]7(O)[C@@H](C[C@@H](O)[C@H]5[C@]14O)[C@]6(C)CC[C@@H]7OC(=O)[C@@](C)(O)CC

InChI

InChIKey=YABGRQYDJADSQF-KOFOJPKCSA-N
InChI=1S/C37H59NO11.C2H4O2/c1-8-19(4)30(41)48-29-27(40)26-20(17-38-16-18(3)10-11-24(38)34(26,7)44)21-15-35-28(36(21,29)45)22(39)14-23-32(35,5)13-12-25(37(23,46)49-35)47-31(42)33(6,43)9-2;1-2(3)4/h18-29,39-40,43-46H,8-17H2,1-7H3;1H3,(H,3,4)/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33-,34+,35+,36-,37?;/m0./s1

HIDE SMILES / InChI

Molecular Formula C37H59NO11
Molecular Weight 693.8645
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
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 Wed Apr 02 11:39:53 GMT 2025
Edited
by admin
on Wed Apr 02 11:39:53 GMT 2025
Record UNII
3E2743F4BR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GERMERINE ACETATE
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3-((2S)-2-HYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-, ACETATE
Preferred Name English
Code System Code Type Description
FDA UNII
3E2743F4BR
Created by admin on Wed Apr 02 11:39:53 GMT 2025 , Edited by admin on Wed Apr 02 11:39:53 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY