Moracin O

CAT: 0926-YEA70297-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-YEA70297-02Size:2 mg

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CAS Number

123702-97-6

Smiles

CC (C) (C1CC2=C (O1) C=C3C (=C2) C=C (O3) C4=CC (=CC (=C4) O) O) O

Molecular Formula

C19H18O5

Molecular Weight

326.4 g/mol

Controlled

Chemical Information

(-)-Moracin O

(-)-Moracin O has been reported in Morus cathayana with data available.

CAS Number	123702-97-6
PubChem CID	42604718
IUPAC Name	5-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol
Molecular Formula	C19H18O5
Molecular Weight	326.3
XLogP	3.3
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	457

SMILES

CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O

InChI

InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1

InChIKey

HMTMYIWMPJSCAZ-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 123702-97-6

CID: 42604718

Formula: C19H18O5

MW: 326.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.3
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	326.11542367
Monoisotopic Mass	326.11542367
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	457
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
WVB11327-01	Moracin T
CEA84146-01	Moracin P
UCA12007-01	Moracin D
UCA12006-01	Moracin C
PS00013-01	Stearyl-AGYLLGKLL (O) (O) LAAAAL (O) (O) LL-NH2
FB74449-01	6-O-Benzoylgomisin O
FO76077-01	O, O'-Diethyl dithiophosphate
DAA70089	O, o-Dimethyl malathion
BAA18609-01	O, O, S-Triethyl phosphorothioate
YAA75487-01	Sodium O, O-dimethyl phosphorothioate