Structure Database (LMSD)

Common Name
(+)-12-Neophoen-3beta-ol
Systematic Name
Synonyms
LM ID
LMPR0106200003
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]
Neohopane, fernane, adianane and filicane triterpenoids [PR010620]

String Representations

InChiKey (Click to copy)
HYGMPNYQUDVYCA-SQSYOYSUSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-19(2)20-9-10-21-22-11-12-24-28(6)15-14-25(31)26(3,4)23(28)13-16-30(24,8)29(22,7)18-17-27(20,21)5/h11,19-21,23-25,31H,9-10,12-18H2,1-8H3/t20-,21+,23?,24-,25+,27-,28+,29-,30-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC[C@H](C(C)C)[C@@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O

Other Databases

PubChem CID
42608300

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.31
Molar Refractivity 131.16

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Created at
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Updated at
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