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12-Hydroxyisodrimenin

CAT: 0931-TN2599Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2599Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
218780-16-6
Target
Others
Related Pathways
Others
Bioactivity
12-Hydroxyisodrimenin is a natural product for research related to life sciences. The catalog number is TN2599 and the CAS number is 218780-16-6.
Smiles
CC1(C)CCC[C@@]2(C)[C@H]1CCC1=C2C(=O)O[C@@H]1O
Molecular Formula
C15H22O3
Molecular Weight
250.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

12-Hydroxyisodrimenin
CAS Number218780-16-6
PubChem CID10944854
IUPAC Name(3S,5aS,9aS)-3-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-3H-benzo[g][2]benzofuran-1-one
Molecular FormulaC15H22O3
Molecular Weight250.33
XLogP3.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity435
SMILES
C[C@]12CCCC([C@@H]1CCC3=C2C(=O)O[C@@H]3O)(C)C
InChI
InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,12,16H,4-8H2,1-3H3/t10-,12-,15-/m0/s1
InChIKey
QQRBWENXGSIZJM-WBIUFABUSA-N
Chemical Structure
2D Structure
2D structure of 12-Hydroxyisodrimenin
CAS: 218780-16-6
CID: 10944854
Formula: C15H22O3
MW: 250.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.33
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass250.15689456
Monoisotopic Mass250.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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