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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H61NO12.C2H4O2
Molecular Weight 795.9531
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERMITRINE 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](OC(C)=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(=O)[C@@](C)(O)CC

InChI

InChIKey=HXAFUMZHXHWAAV-VQENEWPOSA-N
InChI=1S/C39H61NO12.C2H4O2/c1-9-20(4)32(43)51-31-29(42)28-22(18-40-17-19(3)11-12-26(40)36(28,8)46)23-16-37-30(38(23,31)47)24(49-21(5)41)15-25-34(37,6)14-13-27(39(25,48)52-37)50-33(44)35(7,45)10-2;1-2(3)4/h19-20,22-31,42,45-48H,9-18H2,1-8H3;1H3,(H,3,4)/t19-,20+,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-,39?;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C39H61NO12
Molecular Weight 735.9011
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:46:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:46:01 GMT 2023
Record UNII
O7N4NTO7KH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GERMITRINE ACETATE
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 7-ACETATE 3-((2S)-2-HYDROXY-2-METHYLBUTANOATE) 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
O7N4NTO7KH
Created by admin on Sat Dec 16 08:46:01 GMT 2023 , Edited by admin on Sat Dec 16 08:46:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY