CIL62

CAT: 0127-BUP15248-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15248-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

117593-36-9

Purity

=95%

Smiles

CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1

Chemical Information

9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

CAS Number	117593-36-9
PubChem CID	991372
IUPAC Name	9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Molecular Formula	C23H26O5
Molecular Weight	382.4
XLogP	3.3
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	28
Formal Charge	0
Complexity	733

SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=C(C=C4)O)O)C(=O)C1)C

InChI

InChI=1S/C23H26O5/c1-22(2)8-15(26)20-17(10-22)28-18-11-23(3,4)9-16(27)21(18)19(20)13-6-5-12(24)7-14(13)25/h5-7,19,24-25H,8-11H2,1-4H3

InChIKey

OKXVTYXMGOFJFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117593-36-9

CID: 991372

Formula: C23H26O5

MW: 382.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	382.4
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	382.17802393
Monoisotopic Mass	382.17802393
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	733
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
HY-136509-01	CIL62
M37542-01	CIL62 B