cyclomargenol acetate

ScientificNameLabel

cyclomargenol acetate
PHCD compound ID :	5653
Chemical Names :	cyclomargenol acetate
Molecular Formula :	C34H56O2
Molecular Weight :	496.428031

More Details :

Names & Synonyms:
Smiles:	CC[C@@H](C(=C)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)OC(=O)C)C)C
InChi :	InChI=1S/C34H56O2/c1-10-25(22(2)3)12-11-23(4)26-15-17-32(9)28-14-13-27-30(6,7)29(36-24(5)35)16-18-33(27)21-34(28,33)20-19-31(26,32)8/h23,25-29H,2,10-21H2,1,3-9H3/t23-,25-,26-,27+,28+,29+,31-,32+,33-,34+/m1/s1
InChi Key :	InChIKey=FKOIYZJFULCGFU-BACXILKFSA-N
PubChem ID :

Rotatable bond count :	8	Rule of five :	1
Hydrogen bond acceptor count :	2	Ionization potential :	9.418643
Hydrogen bond donor count :	0	Electric dipole moment :	4.092
XLogP :	13.779	VDW volume :	547.145178
Molecular weight :	496.428031	HOMO-LUMO gap :	10.781000

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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