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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O6
Molecular Weight 432.5497
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOPTEROSIN A

SMILES

[H][C@]12CC[C@H](C)C3=C1C([C@H](C[C@@H]2C)C=C(C)C)=C(C)C(O)=C3O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=DBGVVIGAVAIWRU-GYGPFBJXSA-N
InChI=1S/C25H36O6/c1-11(2)8-15-9-13(4)16-7-6-12(3)18-20(16)19(15)14(5)21(27)24(18)31-25-23(29)22(28)17(26)10-30-25/h8,12-13,15-17,22-23,25-29H,6-7,9-10H2,1-5H3/t12-,13-,15-,16+,17+,22-,23+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H36O6
Molecular Weight 432.5497
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:53:01 GMT 2023
Edited
by admin
on Sat Dec 16 09:53:01 GMT 2023
Record UNII
5P6979KNB7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSEUDOPTEROSIN A
MI  
Common Name English
(3S,7R,9S,9AR)-2,3,7,8,9,9A-HEXAHYDRO-5-HYDROXY-3,6,9-TRIMETHYL-7-(2-METHYL-1-PROPENYL)-1H-PHENALEN-4-YL-.BETA.-D-XYLOPYRANOSIDE
Common Name English
PSEUDOPTEROSIN A, (-)-
Systematic Name English
.BETA.-D-XYLOPYRANOSIDE, (3S,7R,9S,9AR)-2,3,7,8,9,9A-HEXAHYDRO-5-HYDROXY-3,6,9-TRIMETHYL-7-(2-METHYL-1-PROPEN-1-YL)-1H-PHENALEN-4-YL
Common Name English
PSEUDOPTEROSIN A [MI]
Common Name English
Code System Code Type Description
WIKIPEDIA
Pseudopterosin A
Created by admin on Sat Dec 16 09:53:01 GMT 2023 , Edited by admin on Sat Dec 16 09:53:01 GMT 2023
PRIMARY
FDA UNII
5P6979KNB7
Created by admin on Sat Dec 16 09:53:01 GMT 2023 , Edited by admin on Sat Dec 16 09:53:01 GMT 2023
PRIMARY
PUBCHEM
11732783
Created by admin on Sat Dec 16 09:53:01 GMT 2023 , Edited by admin on Sat Dec 16 09:53:01 GMT 2023
PRIMARY
MERCK INDEX
m9299
Created by admin on Sat Dec 16 09:53:01 GMT 2023 , Edited by admin on Sat Dec 16 09:53:01 GMT 2023
PRIMARY Merck Index
CAS
104855-20-1
Created by admin on Sat Dec 16 09:53:01 GMT 2023 , Edited by admin on Sat Dec 16 09:53:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID301030380
Created by admin on Sat Dec 16 09:53:01 GMT 2023 , Edited by admin on Sat Dec 16 09:53:01 GMT 2023
PRIMARY