Structure database (LMSD)

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LM IDLMPR0106200001
Common Name(-)-7-Fernen-3α-ol
Systematic Name-
Synonyms-
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Neohopane, fernane, adianane and filicane triterpenoids [PR010620]
PubChem Compound ID (CID)42608298
InChIKeyVLRMAVHXJLVDCY-ZTYDYFGCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESCC1(C)[C@@H](O)CC[C@]2(C)C1CC=C1[C@H]2CC[C@]2(C)[C@H]3CC[C@@H](C(C)C)[C@]3(C)CC[
C@]21C
StatusActive
ReferencesNat. Prod. Rep., 2001, 18, 560-578.
Calculated physicochemical properties (?):
 Heavy Atoms31Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
471.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.31Molar
Refractivity
131.16