Identification

PhytoHub ID
PHUB000166
Name
Erythrodiol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
442.728
Monoisotopic Mass
442.38108085
Chemical Formula
C30H50O2
IUPAC Name
erythrodiol
InChI Key
PSZDOEIIIJFCFE-OSQDELBUSA-N
InChI Identifier
InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
SMILES
[H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
Structure

Calculated Properties

Solubility (ALOGPS)
3.81e-04 g/l
LogS (ALOGPS)
-6.07
LogP (ALOGPS)
6.75
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
133.682
Polarizability
54.93903126335444
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.6408884388998323
pKa (strongest acidic)
18.92077743176088
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Taxonomy

Family
Terpenoids
Class
Triterpenoids
Sub-class
Miscellaneous triterpenoids

Spectra

No spectra information available

Food Sources

NameGroup
Olive oilFats and oils PublicationsShow

Metabolism

No metabolism information available

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