SALVIADELPHIN CHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H41O26.Cl
Molecular Weight	997.212
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC(O)=C(O)C=C2)O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@@H](OC(=O)CC(O)=O)[C@H](O)[C@H]5O)C=C(O)C=C4[O+]=C3C6=CC(O)=C(O)C(O)=C6)[C@H](O)[C@H]1O

InChI

InChIKey=BUSHEYXQOAMBAI-PKDFCWOISA-N

InChI=1S/C42H40O26.ClH/c43-17-8-23-18(24(9-17)64-42-38(60)36(58)40(68-32(54)12-29(50)51)27(67-42)14-62-31(53)11-28(48)49)10-25(39(63-23)16-6-21(46)33(55)22(47)7-16)65-41-37(59)35(57)34(56)26(66-41)13-61-30(52)4-2-15-1-3-19(44)20(45)5-15;/h1-10,26-27,34-38,40-42,56-60H,11-14H2,(H7-,43,44,45,46,47,48,49,50,51,52,55);1H/t26-,27-,34-,35+,36-,37-,38-,40-,41-,42-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C42H40O26
Molecular Weight	960.7514
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:40:54 GMT 2023` Edited by `admin` on `Sat Dec 16 05:40:54 GMT 2023`
Record UNII	30RMD28WTS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SALVIADELPHIN CHLORIDE

Common Name

English

1-BENZOPYRYLIUM, 5-((4,6-BIS-O-(2-CARBOXYACETYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-((6-O-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-7-HYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

90479590

Created by admin on Sat Dec 16 05:40:54 GMT 2023 , Edited by admin on Sat Dec 16 05:40:54 GMT 2023

PRIMARY

CAS

128508-45-2

Created by admin on Sat Dec 16 05:40:54 GMT 2023 , Edited by admin on Sat Dec 16 05:40:54 GMT 2023

PRIMARY

FDA UNII

30RMD28WTS

Created by admin on Sat Dec 16 05:40:54 GMT 2023 , Edited by admin on Sat Dec 16 05:40:54 GMT 2023

PRIMARY