Structure Database (LMSD)

Common Name
(+)-13(17),15-Cleistanthadiene
Systematic Name
Synonyms
LM ID
LMPR0104100001
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Cleistanthane and isocleistanthane diterpenoids [PR010410]

String Representations

InChiKey (Click to copy)
GOFPPPBRKRVCKN-OAQMNZSCSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,15-18H,1-2,7-13H2,3-5H3/t15-,16-,17?,18-,20+/m0/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@]3([H])CC[C@@]2([H])C1(C)C

Other Databases

PubChem CID
42608214

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 312.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.00
Molar Refractivity 87.50

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Updated at
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