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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O14
Molecular Weight 594.5612
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIDYMIN

SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2

InChI

InChIKey=RMCRQBAILCLJGU-HIBKWJPLSA-N
InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H34O14
Molecular Weight 594.5612
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:58:47 GMT 2023
Edited
by admin
on Sat Dec 16 07:58:47 GMT 2023
Record UNII
02Q5OS3TU3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIDYMIN
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-, (S)-
Systematic Name English
CITRIFOLIOL-7-O-RUTINOSIDE
Common Name English
DIDYMIN [USP-RS]
Common Name English
ISOSAKURANETIN 7-RUTINOSIDE
Common Name English
NEOPONCIRIN
Common Name English
FLAVANONE, 5,7-DIHYDROXY-4'-METHOXY-, 7.BETA.-RUTINOSIDE
Systematic Name English
4'-METHOXY-5,7-DIHYDROXYFLAVANONE 7-O-RUTINOSIDE
Common Name English
ISOSAKURANETIN 7-O-RUTINOSIDE
Common Name English
DIDYMINE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-, (2S)-
Systematic Name English
(2S)-7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90931536
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
PRIMARY
PUBCHEM
16760075
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
PRIMARY
FDA UNII
02Q5OS3TU3
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
PRIMARY
RS_ITEM_NUM
1191554
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
238-139-6
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
PRIMARY
CAS
14259-47-3
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT