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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34O15
Molecular Weight 622.5713
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PECTOLINAROSIDE

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C(OC)=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=DUXQKCCELUKXOE-CBBZIXHGSA-N
InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H34O15
Molecular Weight 622.5713
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:55:26 UTC 2023
Edited
by admin
on Fri Dec 15 17:55:26 UTC 2023
Record UNII
BY44L9O1RR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PECTOLINAROSIDE
Common Name English
PECTOLINARIN [INCI]
Common Name English
PECTOLINARIN
INCI  
Official Name English
7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-6-METHOXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-6-METHOXY-2-(4-METHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
28978-02-1
Created by admin on Fri Dec 15 17:55:26 UTC 2023 , Edited by admin on Fri Dec 15 17:55:26 UTC 2023
PRIMARY
WIKIPEDIA
Pectolinarin
Created by admin on Fri Dec 15 17:55:26 UTC 2023 , Edited by admin on Fri Dec 15 17:55:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID70951590
Created by admin on Fri Dec 15 17:55:26 UTC 2023 , Edited by admin on Fri Dec 15 17:55:26 UTC 2023
PRIMARY
FDA UNII
BY44L9O1RR
Created by admin on Fri Dec 15 17:55:26 UTC 2023 , Edited by admin on Fri Dec 15 17:55:26 UTC 2023
PRIMARY
PUBCHEM
168849
Created by admin on Fri Dec 15 17:55:26 UTC 2023 , Edited by admin on Fri Dec 15 17:55:26 UTC 2023
PRIMARY
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