cyclolaudenol linolate

ScientificNameLabel

cyclolaudenol linolate
PHCD compound ID :	5648
Chemical Names :	cyclolaudenol linolate
Molecular Formula :	C49H82O2
Molecular Weight :	702.631482

More Details :

Names & Synonyms:
Smiles:	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC[C@@H](C(=C)C)C)C)C
InChi :	InChI=1S/C49H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-44(50)51-43-31-33-48-36-49(48)35-34-46(8)40(39(5)27-26-38(4)37(2)3)30-32-47(46,9)42(49)29-28-41(48)45(43,6)7/h14-15,17-18,38-43H,2,10-13,16,19-36H2,1,3-9H3/b15-14-,18-17-/t38-,39+,40+,41-,42-,43-,46+,47-,48+,49-/m0/s1
InChi Key :	InChIKey=CEGQQNQUTYNJJA-CIBSQRIPSA-N
PubChem ID :

Rotatable bond count :	21	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	9.565603
Hydrogen bond donor count :	0	Electric dipole moment :	1.340
XLogP :	21.155	VDW volume :	801.31203
Molecular weight :	702.631482	HOMO-LUMO gap :	10.665000

Herb list :

Liverwort, Common polypody, Wall fern - Polypodium vulgare - بسفایج

Refrences & Litretures:


953. Journal:'European Medicines Agency' Year:'2008' Volume:'' Page:'' DOI:'' Title:'ASSESSMENT REPORT ON POLYPODIUM VULGARE L., RHIZOMA'

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