Structure Database (LMSD)

Common Name
(+)-Gammacerane
Systematic Name
Synonyms
LM ID
LMPR0106220002
Status
Active
Exact Mass
Calculate m/z
412.4069
Formula
C30H52
Show lipids differing only in stereochemistry/bond geometry
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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

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Gammacerane triterpenoids [PR010622]

String Representations

InChiKey (Click to copy)
QDUDLLAGYKHBNK-QPYQYMOUSA-N
InChi (Click to copy)
InChI=1S/C30H52/c1-25(2)15-9-17-27(5)21(25)13-19-29(7)23(27)11-12-24-28(6)18-10-16-26(3,4)22(28)14-20-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24+,27-,28-,29+,30+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)C1

References

Other Databases

CHEBI ID
36473
PubChem CID
9548720

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 465.76
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.28
Molar Refractivity 129.35

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Created at
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Updated at
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