Structure Database (LMSD)

Common Name
(+)-16-Gammaceren-3beta-ol
Systematic Name
Synonyms
LM ID
LMPR0106220003
Formula
C30H50O
Exact Mass
Calculate m/z
426.386165
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
PUTXDAKUBZBEOG-VTYFQIIBSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h12,21-24,31H,9-11,13-19H2,1-8H3/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)C5=CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O

Other Databases

PubChem CID
14447659

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.46
Molar Refractivity 131.23

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Created at
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Updated at
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