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Dehydroabietinol

CAT: 0572-TRC-D229095-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229095-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3772-55-2
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(C)C1CCC2C(=C1)CCC3C(C)(CO)CCCC23C
Molecular Formula
C20 H34 O
Molecular Weight
290.48
InChI
InChI=1S/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3
Additionnal Information
IUPAC name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl)methanol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dehydroabietyl alcohol

Dehydroabietadienol is an abietane diterpenoid and a carbotricyclic compound.

CAS Number3772-55-2
PubChem CID15586718
IUPAC Name[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
Molecular FormulaC20H30O
Molecular Weight286.5
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity376
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CO)C
InChI
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1
InChIKey
WSKGRAGZAQRSED-SLFFLAALSA-N
Chemical Structure
2D Structure
2D structure of Dehydroabietyl alcohol
CAS: 3772-55-2
CID: 15586718
Formula: C20H30O
MW: 286.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass286.229665576
Monoisotopic Mass286.229665576
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity376
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

Alternative Products

CatalogName
DAA77255-01Dehydroabietinol

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