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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38O7
Molecular Weight 474.5864
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOPTEROSIN C

SMILES

C[C@H]1C[C@H](C=C(C)C)C2=C(C)C(O)=C(O[C@@H]3OC[C@@H](O)[C@H](OC(C)=O)[C@H]3O)C4=C2[C@@H]1CC[C@@H]4C

InChI

InChIKey=KFGFLTUAFJTHSD-HPZAAEPWSA-N
InChI=1S/C27H38O7/c1-12(2)9-17-10-14(4)18-8-7-13(3)20-22(18)21(17)15(5)23(30)26(20)34-27-24(31)25(33-16(6)28)19(29)11-32-27/h9,13-14,17-19,24-25,27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17-,18+,19+,24+,25-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H38O7
Molecular Weight 474.5864
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 Mon Mar 31 22:53:13 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:13 GMT 2025
Record UNII
94F3Q0GULG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(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-.BETA.-D-XYLOPYRANOSIDE 3-ACETATE
Preferred Name English
PSEUDOPTEROSIN C
MI  
Common 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, 3-ACETATE
Common Name English
PSEUDOPTEROSIN C [MI]
Common Name English
Code System Code Type Description
FDA UNII
94F3Q0GULG
Created by admin on Mon Mar 31 22:53:13 GMT 2025 , Edited by admin on Mon Mar 31 22:53:13 GMT 2025
PRIMARY
MERCK INDEX
m9299
Created by admin on Mon Mar 31 22:53:13 GMT 2025 , Edited by admin on Mon Mar 31 22:53:13 GMT 2025
PRIMARY Merck Index
CAS
104881-78-9
Created by admin on Mon Mar 31 22:53:13 GMT 2025 , Edited by admin on Mon Mar 31 22:53:13 GMT 2025
PRIMARY
PUBCHEM
21637884
Created by admin on Mon Mar 31 22:53:13 GMT 2025 , Edited by admin on Mon Mar 31 22:53:13 GMT 2025
PRIMARY