7-o-Methyleucomol

CAT: 0926-SAA93415-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-SAA93415-02Size:25 mg

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CAS Number

17934-15-5

MDL Number

MFCD31746828

Smiles

COC1=CC=C (C=C1) CC2 (COC3=CC (=CC (=C3C2=O) O) OC) O

Molecular Formula

C18H18O6

Molecular Weight

330.3 g/mol

Controlled

Chemical Information

7-O-Methyleucomol

7-O-Methyleucomol has been reported in Eucomis montana, Albuca bracteata, and Eucomis bicolor with data available.

CAS Number	17934-15-5
PubChem CID	124355924
IUPAC Name	(3S)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
Molecular Formula	C18H18O6
Molecular Weight	330.3
XLogP	2.7
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	447

SMILES

COC1=CC=C(C=C1)C[C@@]2(COC3=CC(=CC(=C3C2=O)O)OC)O

InChI

InChI=1S/C18H18O6/c1-22-12-5-3-11(4-6-12)9-18(21)10-24-15-8-13(23-2)7-14(19)16(15)17(18)20/h3-8,19,21H,9-10H2,1-2H3/t18-/m0/s1

InChIKey

LZSFFWMTNAFHNX-SFHVURJKSA-N

Chemical Structure

2D Structure

CAS: 17934-15-5

CID: 124355924

Formula: C18H18O6

MW: 330.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.3
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	330.11033829
Monoisotopic Mass	330.11033829
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	447
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GIA56099-01	7-o-Methylporiol
DBA58743-01	7-o-Geranylscopoletin
FE23138-01	7-O-Ethyldaidzein
BCA85711-01	7-O-Methyleriodictyol
UEA94346-01	7-o-Methylmorroniside
FH65364	7-Hydroxyisoflavone-7-O-glucoside
LDA54687-01	Apigenin 7-o- (6''-o-malonylglucoside)
PDA70639-01	7-o-Acetyl-4-o-demethylpolysyphorin
KKB04412-01	Farrerol 7-o-glucoside
JCC07908-01	7-o-Acetylneocaesalpin N

Catalog	Name
TN3244	7-O-Methyleucomol
CS-T-93324	7-O-Desmethyl-7-O-ethyl Everolimus
AR-R01235-01	7-O-Demethyl-7-O-ethyl Rapamycin
sc-500452	7-O-Desmethoxy-7-O-chloroethyl Erlotinib Hydrochloride
HY-N15067	7-O-Methylluteone
TBZ1648	7-O-Methyleriodictyol
TBW01490	7-O-Methylrosmanol
HY-N2676	7-O-Methyldihydrowogonin
TN6391	7-O-Methylaromadendrin
TN3245	7-O-Methylmorroniside