Structure Database (LMSD)

H HO H
Common Name
(-)-Multiflorenol
Systematic Name
(-)-7-multifloren-3β-ol
Synonyms
LM ID
LMPR0106160003
Formula
C30H50O
Exact Mass
Calculate m/z
426.386165
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]
Taraxerane, multiflorane, glutinane and friedelane triterpenoids [PR010616]

String Representations

InChiKey (Click to copy)
ZDFUASMRJUVZJP-QTSBQTNSSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22?,23+,24-,27+,28+,29+,30-/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4(C)C3=CCC2C(C)(C)[C@H]1O

References

Other Databases

PubChem CID
42608291

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

Admin

Created at
-
Updated at
-