Glabralide B

CAT: 0926-VLD38884-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-VLD38884-01Size:5 mg

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

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CAS Number

2170388-84-6

Smiles

CC (=CCCC (=CCC1=C2C (=CC (=C1) O) C (=C (C) C) C (=O) O2) C) C

Molecular Formula

C21H26O3

Molecular Weight

326.4 g/mol

Controlled

Chemical Information

Glabralide B

CAS Number	2170388-84-6
PubChem CID	133561615
IUPAC Name	7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-propan-2-ylidene-1-benzofuran-2-one
Molecular Formula	C21H26O3
Molecular Weight	326.4
XLogP	6.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	560

SMILES

CC(=CCC/C(=C/CC1=C2C(=CC(=C1)O)C(=C(C)C)C(=O)O2)/C)C

InChI

InChI=1S/C21H26O3/c1-13(2)7-6-8-15(5)9-10-16-11-17(22)12-18-19(14(3)4)21(23)24-20(16)18/h7,9,11-12,22H,6,8,10H2,1-5H3/b15-9+

InChIKey

KQFVFCDBRJGIPU-OQLLNIDSSA-N

Chemical Structure

2D Structure

CAS: 2170388-84-6

CID: 133561615

Formula: C21H26O3

MW: 326.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	326.18819469
Monoisotopic Mass	326.18819469
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	560
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes