Structure Database (LMSD)

Systematic Name
14-nor-lanosta-5-en-3β-ol
Synonyms
LM ID
LMST01030140
Status
Active
Exact Mass
Calculate m/z
414.386165
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DASOUCLGLBPXLC-RFFCGCGHSA-N
InChi (Click to copy)
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24,26,30H,8-13,15-18H2,1-7H3/t20?,21?,22-,23?,24?,26+,28-,29-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)C3C(CC=C2C(C)(C)[C@H]1O)C1CC[C@H](C(C)CCCC(C)C)[C@@]1(C)CC3

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 466.97
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.31
Molar Refractivity 128.73

Admin

Created at
-
Updated at
-