TENIPOSIDE ORTHOQUINONE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C31H30O13S
Molecular Weight	642.627
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)C(=O)C(=O)C3)C4=CC5=C(OCO5)C=C4[C@H]2O[C@]6([H])O[C@]7([H])CO[C@H](O[C@@]7([H])[C@H](O)[C@H]6O)C8=CC=CS8

InChI

InChIKey=HVLNQESLXPFFBM-YSRYGXPXSA-N

InChI=1S/C31H30O13S/c1-37-19-6-12(5-16(32)24(19)33)22-13-7-17-18(41-11-40-17)8-14(13)27(15-9-38-29(36)23(15)22)43-31-26(35)25(34)28-20(42-31)10-39-30(44-28)21-3-2-4-45-21/h2-4,6-8,15,19-20,22-23,25-28,30-31,34-35H,5,9-11H2,1H3/t15-,19?,20+,22+,23-,25+,26+,27+,28+,30+,31-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TENIPOSIDE ORTHOQUINONE

Common Name

English

5-((5S,5AR,8AR,9R)-5-(((2R,4AR,6R,7R,8R,8AS)-7,8-DIHYDROXY-2-(2-THIENYL)-4,4A,6,7,8,8A-HEXAHYDROPYRANO(3,2-D)(1,3)DIOXIN-6-YL)OXY)-8-OXO-5A,6,8A,9-TETRAHYDRO-5H-ISOBENZOFURO(5,6-F)(1,3)BENZODIOXOL-9-YL)-3-METHOXY-CYCLOHEX-4-ENE-1,2-DIONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

165411928

Created by admin on Sat Dec 16 13:39:54 GMT 2023 , Edited by admin on Sat Dec 16 13:39:54 GMT 2023

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FDA UNII

Q94DY9ADZ9

Created by admin on Sat Dec 16 13:39:54 GMT 2023 , Edited by admin on Sat Dec 16 13:39:54 GMT 2023

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