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Larixol

CAT: 0926-FL65054-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FL65054-01Size:10 mg
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CAS Number
1438-66-0
MDL Number
MFCD04113096
Smiles
C[C@]12CCCC ([C@@H]1[C@H] (CC (=C) [C@@H]2CC[C@@] (C) (C=C) O) O) (C) C
Molecular Formula
C20H34O2
Molecular Weight
306.48 g/mol
Controlled
No

Chemical Information

(1S,4S,4aR,8aS)-4-((S)-3-Hydroxy-3-methylpent-4-en-1-yl)-4a,8,8-trimethyl-3-methylenedecahydronaphthalen-1-ol

(1S,4S,4aR,8aS)-4-((S)-3-Hydroxy-3-methylpent-4-en-1-yl)-4a,8,8-trimethyl-3-methylenedecahydronaphthalen-1-ol has been reported in Tsuga chinensis, Larix decidua, and other organisms with data available.

CAS Number1438-66-0
PubChem CID11335788
IUPAC Name(1S,4S,4aR,8aS)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
Molecular FormulaC20H34O2
Molecular Weight306.5
XLogP4.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
C[C@]12CCCC([C@@H]1[C@H](CC(=C)[C@@H]2CC[C@@](C)(C=C)O)O)(C)C
InChI
InChI=1S/C20H34O2/c1-7-19(5,22)12-9-15-14(2)13-16(21)17-18(3,4)10-8-11-20(15,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17-,19+,20+/m0/s1
InChIKey
CLGDBTZPPRVUII-HROONELDSA-N
Chemical Structure
2D Structure
2D structure of (1S,4S,4aR,8aS)-4-((S)-3-Hydroxy-3-methylpent-4-en-1-yl)-4a,8,8-trimethyl-3-methylenedecahydronaphthalen-1-ol
CAS: 1438-66-0
CID: 11335788
Formula: C20H34O2
MW: 306.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass306.255880323
Monoisotopic Mass306.255880323
Topological Polar Surface Area40.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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