Agarospirol

CAT: 0931-T23663-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T23663-02Size:25 mg

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

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CAS Number

1460-73-7

Bioactivity

Agarospirol has partial anti-inflammatory activity.

Smiles

C[C@H]1[C@@]2(C[C@H]([C@@](C)(C)O)CC2)C(C)=CCC1

Molecular Formula

C15H26O

Molecular Weight

222.37

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Agarospirol

Agarospirol is a sesquiterpenoid.

CAS Number	1460-73-7
PubChem CID	21675005
IUPAC Name	2-[(3R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
Molecular Formula	C15H26O
Molecular Weight	222.37
XLogP	3.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	303

SMILES

C[C@@H]1CCC=C([C@@]12CC[C@H](C2)C(C)(C)O)C

InChI

InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m1/s1

InChIKey

ICWHTQRTTHCUHW-NFAWXSAZSA-N

Chemical Structure

2D Structure

CAS: 1460-73-7

CID: 21675005

Formula: C15H26O

MW: 222.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.37
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449
Monoisotopic Mass	222.198365449
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
MBS5773431	Agarospirol