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Details

Stereochemistry EPIMERIC
Molecular Formula C26H30O14
Molecular Weight 566.508
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASTAVINOL C3

SMILES

[H][C@]12[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@](OC1(C)C(C)=O)(OC4=CC(O)=CC(O)=C24)C5=CC(OC)=C(O)C(O)=C5

InChI

InChIKey=ADFRCNLBRJARNV-MHDKHVFCSA-N
InChI=1S/C26H30O14/c1-9(28)25(2)18-17-12(30)6-11(29)7-14(17)39-26(40-25,10-4-13(31)19(32)15(5-10)36-3)23(18)38-24-22(35)21(34)20(33)16(8-27)37-24/h4-7,16,18,20-24,27,29-35H,8H2,1-3H3/t16-,18+,20-,21+,22-,23-,24+,25?,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H30O14
Molecular Weight 566.508
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:31 GMT 2023
Edited
by admin
on Sat Dec 16 16:57:31 GMT 2023
Record UNII
ZHZ5SCW9G9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CASTAVINOL C3
Common Name English
ETHANONE, 1-(2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)-, (2S,5S,10R)-
Systematic Name English
ETHANONE, 1-((2S,5S,10R)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)-
Systematic Name English
1-((2S,5S,10R)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)ETHANONE
Systematic Name English
5-HYDROXYCASTAVINOL
Common Name English
Code System Code Type Description
FDA UNII
ZHZ5SCW9G9
Created by admin on Sat Dec 16 16:57:31 GMT 2023 , Edited by admin on Sat Dec 16 16:57:31 GMT 2023
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WIKIPEDIA
Castavinol C3
Created by admin on Sat Dec 16 16:57:31 GMT 2023 , Edited by admin on Sat Dec 16 16:57:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID301029755
Created by admin on Sat Dec 16 16:57:31 GMT 2023 , Edited by admin on Sat Dec 16 16:57:31 GMT 2023
PRIMARY
PUBCHEM
102002905
Created by admin on Sat Dec 16 16:57:31 GMT 2023 , Edited by admin on Sat Dec 16 16:57:31 GMT 2023
PRIMARY
CAS
183607-17-2
Created by admin on Sat Dec 16 16:57:31 GMT 2023 , Edited by admin on Sat Dec 16 16:57:31 GMT 2023
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