Agarospirol

Compound Structure:

Synonyms:

Agarospirol;(-)-Agarospirol;alpha,alpha,6,10-Tetramethylspiro(4.5)dec-6-ene-2-methanol;Spiro(4.5)dec-6-ene-2-methanol, alpha,alpha,6,10-tetramethyl-;2-[(3R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol;2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-

Compound ID:

NMPC-560

PubChem ID:

21675005

Molecular Formula:

C15H26O

Canonical SMILES:

CC1CCC=C(C12CCC(C2)C(C)(C)O)C

InChIKey:

ICWHTQRTTHCUHW-NFAWXSAZSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449 g/mol
Monoisotopic Mass	222.198365449 g/mol
Topological Polar Surface Area	20.2Å²
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

Source Species:

Pteris togoensis

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