31-norcycloartanol linolate

ScientificNameLabel

31-norcycloartanol linolate
PHCD compound ID :	5645
Chemical Names :	31-norcycloartanol linolate
Molecular Formula :	C47H80O2
Molecular Weight :	676.615832

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@@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)C
InChi :	InChI=1S/C47H80O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-43(48)49-42-31-32-47-35-46(47)34-33-45(7)38(37(4)25-23-24-36(2)3)27-28-39(45)40(46)29-30-41(47)44(42,5)6/h12-13,15-16,36-42H,8-11,14,17-35H2,1-7H3/b13-12-,16-15-/t37-,38-,39-,40-,41+,42+,45-,46-,47+/m1/s1
InChi Key :	InChIKey=FQSRHJPKIBRUDX-RTOQJBDUSA-N
PubChem ID :

Rotatable bond count :	21	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	9.572588
Hydrogen bond donor count :	0	Electric dipole moment :	4.156
XLogP :	20.857	VDW volume :	769.35652
Molecular weight :	676.615832	HOMO-LUMO gap :	10.676000

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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