6-O-GALLOYLALBIFLORIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32O15
Molecular Weight	632.5661
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]4O[C@H](COC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(COC(=O)C6=CC=CC=C6)C(=O)O2

InChI

InChIKey=NKYKOCKNAQIWRZ-QKYHNZPSSA-N

InChI=1S/C30H32O15/c1-28-10-18(33)15-9-30(28,29(15,27(40)45-28)12-42-24(38)13-5-3-2-4-6-13)44-26-23(37)22(36)21(35)19(43-26)11-41-25(39)14-7-16(31)20(34)17(32)8-14/h2-8,15,18-19,21-23,26,31-37H,9-12H2,1H3/t15-,18+,19+,21+,22-,23+,26-,28-,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H32O15
Molecular Weight	632.5661
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 `Sat Dec 16 09:37:54 UTC 2023` Edited by `admin` on `Sat Dec 16 09:37:54 UTC 2023`
Record UNII	PS2BCP6269
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-O-GALLOYLALBIFLORIN

Common Name

English

(1R,3R,4R,6S,9S)-9-((BENZOYLOXY)METHYL)-4-HYDROXY-6-METHYL-1-((6-O-(3,4,5-TRIHYDROXYBENZOYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-7-OXATRICYCLO(4.3.0.03,9)NONAN-8-ONE

Systematic Name

English

7-OXATRICYCLO(4.3.0.03,9)NONAN-8-ONE, 9-((BENZOYLOXY)METHYL)-4-HYDROXY-6-METHYL-1-((6-O-(3,4,5-TRIHYDROXYBENZOYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (1R,3R,4R,6S,9S)-

Systematic Name

English

GALLOYLALBIFLORIN

Common Name

English

Code System Code Type Description

PUBCHEM

124079396

Created by admin on Sat Dec 16 09:37:55 UTC 2023 , Edited by admin on Sat Dec 16 09:37:55 UTC 2023

PRIMARY

CAS

929042-36-4

Created by admin on Sat Dec 16 09:37:55 UTC 2023 , Edited by admin on Sat Dec 16 09:37:55 UTC 2023

PRIMARY

FDA UNII

PS2BCP6269

Created by admin on Sat Dec 16 09:37:55 UTC 2023 , Edited by admin on Sat Dec 16 09:37:55 UTC 2023

PRIMARY

Related Record Type Details


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PAEONIA LACTIFLORA ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Compound tested and showed no antiproliferative effects against two human cancer cell lines, OVCA 429 ovarian cancer cells and BT 483 breast cancer cells (IC50 N 100 μM) by MTT assay.

Amount: