1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[2-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol

2.1.2 InChI

InChI=1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3

2.1.3 InChI Key

GESZMTVZGWZBPW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2CCC(=C)C(C2(CCC1O)C)CCC3C(=C)CCC4C3(CCC(C4(C)C)O)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Dtxsid10965373

2. Akos032948455

3. 5,5'-(ethane-1,2-diyl)bis(1,1,4a-trimethyl-6-methylidenedecahydronaphthalen-2-ol)

2.3 Create Date

2006-01-18

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₅₀O₂
Molecular Weight	442.7 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	442.381080833 g/mol
Monoisotopic Mass	442.381080833 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	699
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Alpha-Onocerin

Alpha-Onocerin

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