Products for Research Use Only
RegisterLogin

Ageratriol

CAT: 0931-T124927-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T124927-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
38022-97-8
Target
Others
Related Pathways
Others
Bioactivity
Ageratriol is a useful organic compound for research related to life sciences. The catalog number is T124927 and the CAS number is 38022-97-8.
Smiles
CC(=C)[C@H]1C[C@@H](O)C(=C)CC[C@@H](O)C(=C)[C@@H](O)C1
Molecular Formula
C15H24O3
Molecular Weight
252.354
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,3S,5S,7R)-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol

(1R,3S,5S,7R)-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol has been reported in Achillea ageratum with data available.

CAS Number38022-97-8
PubChem CID181557
IUPAC Name(1R,3S,5S,7R)-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol
Molecular FormulaC15H24O3
Molecular Weight252.35
XLogP1.2
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity346
SMILES
CC(=C)[C@H]1C[C@H](C(=C)CC[C@H](C(=C)[C@H](C1)O)O)O
InChI
InChI=1S/C15H24O3/c1-9(2)12-7-14(17)10(3)5-6-13(16)11(4)15(18)8-12/h12-18H,1,3-8H2,2H3/t12-,13+,14+,15-/m0/s1
InChIKey
QVMGKSVFLSTTEO-YJNKXOJESA-N
Chemical Structure
2D Structure
2D structure of (1R,3S,5S,7R)-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol
CAS: 38022-97-8
CID: 181557
Formula: C15H24O3
MW: 252.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.35
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass252.17254462
Monoisotopic Mass252.17254462
Topological Polar Surface Area60.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790421Ageratriol

Popular Products