Structure Database (LMSD)

H H
Common Name
(-)-5-Adianene
Systematic Name
Synonyms
LM ID
LMPR0106200004
Formula
C30H50
Exact Mass
Calculate m/z
410.39125
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Neohopane, fernane, adianane and filicane triterpenoids [PR010620]

String Representations

InChiKey (Click to copy)
WZDKBHGEBSMIQO-XAUJWZRVSA-N
InChi (Click to copy)
InChI=1S/C30H50/c1-20(2)21-11-13-24-27(21,5)16-18-30(8)25-14-12-22-23(10-9-15-26(22,3)4)28(25,6)17-19-29(24,30)7/h12,20-21,23-25H,9-11,13-19H2,1-8H3/t21-,23-,24-,25?,27-,28+,29+,30-/m1/s1
SMILES (Click to copy)
C1C[C@@]2([H])[C@]3(C)CC[C@@]4(C)[C@]5([H])CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)C3CC=C2C(C)(C)C1

References

Other Databases

PubChem CID
42608301

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 463.12
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.05
Molar Refractivity 129.26

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Created at
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Updated at
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