Structure Database (LMSD)

Common Name
stemod-13(17)-ene
Systematic Name
(4aS,6aS,8S,11aR,11bS)-4,4,11b-trimethyl-9-methylidenetetradecahydro-8,11a-methanocyclohepta[a]naphthalene
Synonyms
  • (4aS,6aS,8S,11aR,11bS)-4,4,11b-trimethyl-9-methylenetetradecahydro-8,11a-methanocyclohepta[a]naphthalene
LM ID
LMPR0104030007
Status
Active
Exact Mass
Calculate m/z
272.2504
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GNNRCBBKCVNPSC-VDWQKOAOSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15-,16-,17-,19-,20+/m0/s1
SMILES (Click to copy)
C1([C@]2([H])CC[C@@]3([C@]4(CCC(=C)[C@@H](C3)C4)[C@@]2(C)CCC1)[H])(C)C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 302.48
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.98
Molar Refractivity 85.48

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Created at
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Updated at
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