Structure Database (LMSD)

H H OH OH
Common Name
(+)-22(29)-Hopen-6alpha-21beta-diol
Systematic Name
Synonyms
LM ID
LMPR0106190002
Formula
C30H50O2
Exact Mass
Calculate m/z
442.38108
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]
Hopane triterpenoids [PR010619]

String Representations

InChiKey (Click to copy)
XXSYFCQOXNPTRZ-UGVZUGSUSA-N
InChi (Click to copy)
InChI=1S/C30H50O2/c1-19(2)30(32)17-16-26(5)21-10-11-22-27(6)14-9-13-25(3,4)24(27)20(31)18-29(22,8)28(21,7)15-12-23(26)30/h20-24,31-32H,1,9-18H2,2-8H3/t20-,21+,22+,23?,24?,26+,27+,28+,29+,30-/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(C)CC[C@](O)(C(C)=C)C5CC[C@@]4(C)[C@]3(C)C[C@H](O)C2C(C)(C)C1

References

Other Databases

PubChem CID
42608297

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 480.70
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.71
Molar Refractivity 133.13

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Created at
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Updated at
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