Structure Database (LMSD)

Common Name
(-)-7-Fernen-3alpha-ol
Systematic Name
Synonyms
LM ID
LMPR0106200001
Status
Active
Exact Mass
Calculate m/z
426.386165
Formula


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)
VLRMAVHXJLVDCY-ZTYDYFGCSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h10,19-21,23-25,31H,9,11-18H2,1-8H3/t20-,21+,23?,24-,25-,27-,28-,29-,30+/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]5([H])CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)C3=CCC2C(C)(C)[C@@H]1O

References

Reference
Nat. Prod. Rep., 2001, 18, 560-578.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Adiantum capillus-veneris (#13818)
Polypodiopsida (#241806)
Triterpenoids.,
Nat Prod Rep, 2001
Pubmed ID: 11699886

Other Databases

PubChem CID

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

Admin

Created at
-
Updated at
23rd Jul 2021