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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H53NO13
Molecular Weight 719.8156
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERMINE 3,4,7,15,16-PENTAACETATE

SMILES

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

InChI

InChIKey=ZZULVWSMKZPFHS-CENFEVHQSA-N
InChI=1S/C37H53NO13/c1-17-9-10-27-34(8,44)29-23(16-38(27)15-17)24-14-35-31(36(24,45)32(49-21(5)42)30(29)48-20(4)41)25(46-18(2)39)13-26-33(35,7)12-11-28(47-19(3)40)37(26,51-35)50-22(6)43/h17,23-32,44-45H,9-16H2,1-8H3/t17-,23-,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GERMINE 3,4,7,15,16-PENTAACETATE
MI  
Common Name English
GERMINE, PENTAACETATE
Systematic Name English
GERMINE, 3,4,7,15,17-PENTAACETATE
Common Name English
GERMINE 3,4,7,15,16-PENTAACETATE [MI]
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3,4,7,15,16-PENTAACETATE, (3.BETA.,4.BETA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
Common Name English
Code System Code Type Description
MERCK INDEX
m5716
Created by admin on Sat Dec 16 02:02:51 GMT 2023 , Edited by admin on Sat Dec 16 02:02:51 GMT 2023
PRIMARY Merck Index
PUBCHEM
71587338
Created by admin on Sat Dec 16 02:02:51 GMT 2023 , Edited by admin on Sat Dec 16 02:02:51 GMT 2023
PRIMARY
FDA UNII
OOS4Y7MOUH
Created by admin on Sat Dec 16 02:02:51 GMT 2023 , Edited by admin on Sat Dec 16 02:02:51 GMT 2023
PRIMARY
CAS
90541-59-6
Created by admin on Sat Dec 16 02:02:51 GMT 2023 , Edited by admin on Sat Dec 16 02:02:51 GMT 2023
PRIMARY