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HCID 616063Erstellt: 4. November 2026

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yakangelicin · BYAKANGELICIN · (Rac)-Byakangelicin · Byakangelicin 19573-01-4 · (Rac)-Byakangelicin, 10 mM in DMSO · 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one · 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy- · Byakangelicin 9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one

https://huagongshe.com/de/chemical/616063

Identifikatoren & physikalische Daten

CAS No.	19573-01-4
Summenformel	C17H18O7
Durchschnittliche Molmasse	334,3 g/mol
Monoisotopische Masse	334,10525291 g/mol
SMILES	COc1c2ccoc2c(OCC(O)C(C)(C)O)c2oc(=O)ccc12
InChIKey	PKRPFNXROFUNDE-UHFFFAOYSA-N
PubChem CID	616063
ChEBI	CHEBI:168880
EC No.	866-253-1
DTXSID	DTXSID00346879

Chemische & physikalische Eigenschaften

XLogP	1,6
Polarare Oberfläche (TPSA)	98,4
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	5
Schwere Atome	24
Formalladung	0
Komplexität	503
Schmelzpunkt	117 - 118 °C
Physical Description	Solid
Siedepunkt	571.5±50.0 °C(Predicted)
Dichte	1.373
Lagerbedingungen	-20°C
Löslichkeit	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand	Powder
pKa (Säurekonstante)	13.67±0.20(Predicted)
Farbe	Off-white to light yellow
InChI	1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
InChIKey	PKRPFNXROFUNDE-UHFFFAOYSA-N
SMILES	[o]1c2c(c(c3c([o]cc3)c2OCC(O)C(O)(C)C)OC)cc[c]1=O

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (50%)
Wassergefährdungsklasse (WGK)	WGK 3
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralSkin Sens. 1

AC1Ldcjl

CAS No.

19573-01-4

Summenformel

C17H18O7

Durchschnittliche Molmasse

334,3 g/mol

Monoisotopische Masse

334,10525291 g/mol

SMILES

COc1c2ccoc2c(OCC(O)C(C)(C)O)c2oc(=O)ccc12

InChIKey

PKRPFNXROFUNDE-UHFFFAOYSA-N

PubChem CID

616063

ChEBI

CHEBI:168880

EC No.

866-253-1

DTXSID

DTXSID00346879

Chemische & physikalische Eigenschaften

XLogP

1,6

Polarare Oberfläche (TPSA)

98,4

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

503

Schmelzpunkt

117 - 118 °C

Physical Description

Solid

Siedepunkt

571.5±50.0 °C(Predicted)

Dichte

1.373

Lagerbedingungen

-20°C

Löslichkeit

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Aggregatzustand

Powder

pKa (Säurekonstante)

13.67±0.20(Predicted)

Farbe

Off-white to light yellow

InChI

1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3

InChIKey

PKRPFNXROFUNDE-UHFFFAOYSA-N

SMILES

[o]1c2c(c(c3c([o]cc3)c2OCC(O)C(O)(C)C)OC)cc[c]1=O

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (50%)

Wassergefährdungsklasse (WGK)

WGK 3

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Acute Tox. 4 OralSkin Sens. 1