(+) -Medicarpin

CAT: 0127-BUP09058Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

33983-39-0

Purity

=95%

Smiles

OC=1C=C2C([C@@]3([C@@](C=4C(O3)=CC(OC)=CC4)(CO2)[H])[H])=CC1

Chemical Information

(+)-Medicarpin

(+)-medicarpin is the (+)-enantiomer of medicarpin. It is an enantiomer of a (-)-medicarpin.

CAS Number	33983-39-0
PubChem CID	73067
IUPAC Name	(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Molecular Formula	C16H14O4
Molecular Weight	270.28
XLogP	2.6
Topological Polar Surface Area	47.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	360

SMILES

COC1=CC2=C(C=C1)[C@H]3COC4=C([C@H]3O2)C=CC(=C4)O

InChI

InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m1/s1

InChIKey

NSRJSISNDPOJOP-CZUORRHYSA-N

Chemical Structure

2D Structure

CAS: 33983-39-0

CID: 73067

Formula: C16H14O4

MW: 270.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.28
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	270.08920892
Monoisotopic Mass	270.08920892
Topological Polar Surface Area	47.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes