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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H59NO12.C2H4O2
Molecular Weight 769.9158
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERMBUDINE 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(=O)[C@](C)(O)[C@@H](C)O

InChI

InChIKey=VVPITNIQYJUMGW-CXXXSQDESA-N
InChI=1S/C37H59NO12.C2H4O2/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39;1-2(3)4/h17-29,39-41,44-47H,8-16H2,1-7H3;1H3,(H,3,4)/t17-,18+,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33+,34+,35+,36-,37?;/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 C37H59NO12
Molecular Weight 709.8639
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
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
11DTT3W2TV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GERMBUDINE ACETATE
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3-((2R,3R)-2,3-DIHYDROXY-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
11DTT3W2TV
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