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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H46O6
Molecular Weight 514.6933
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CONVALLAMAROGENIN DIACETATE

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](C[C@@H](OC(C)=O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CCC(=C)CO6)O2)OC(C)=O

InChI

InChIKey=HREWWOGSJAEBJE-XEVOYGIFSA-N
InChI=1S/C31H46O6/c1-17-9-12-31(34-16-17)18(2)28-26(37-31)15-25-23-8-7-21-13-22(35-19(3)32)14-27(36-20(4)33)30(21,6)24(23)10-11-29(25,28)5/h18,21-28H,1,7-16H2,2-6H3/t18-,21+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H46O6
Molecular Weight 514.6933
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:13 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:13 GMT 2023
Record UNII
EGM8884LLE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONVALLAMAROGENIN DIACETATE
MI  
Common Name English
SPIROST-25(27)-ENE-1,3-DIOL, DIACETATE, (1.BETA.,3.BETA.,5.BETA.)-
Systematic Name English
CONVALLAMAROGENIN DIACETATE [MI]
Common Name English
5.BETA.-SPIROST-25(27)-ENE-1.BETA.,3.BETA.-DIOL, DIACETATE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m124
Created by admin on Sat Dec 16 09:27:13 GMT 2023 , Edited by admin on Sat Dec 16 09:27:13 GMT 2023
PRIMARY Merck Index
PUBCHEM
91617946
Created by admin on Sat Dec 16 09:27:13 GMT 2023 , Edited by admin on Sat Dec 16 09:27:13 GMT 2023
PRIMARY
CAS
16683-33-3
Created by admin on Sat Dec 16 09:27:13 GMT 2023 , Edited by admin on Sat Dec 16 09:27:13 GMT 2023
PRIMARY
FDA UNII
EGM8884LLE
Created by admin on Sat Dec 16 09:27:13 GMT 2023 , Edited by admin on Sat Dec 16 09:27:13 GMT 2023
PRIMARY