[(3R,4S,5S,6R)-5-methoxy-4-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(5-hydroxypentoxy)phenyl]prop-2-enoate

Update Time: 2025-04-25 16:33:36

	Common Name	[(3R,4S,5S,6R)-5-methoxy-4-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(5-hydroxypentoxy)phenyl]prop-2-enoate	English Name	[(3R,4S,5S,6R)-5-methoxy-4-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(5-hydroxypentoxy)phenyl]prop-2-enoate
	CAS NO.	N/A	Molecular Weight	514.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₀H₄₂O₇	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(3R,4S,5S,6R)-5-methoxy-4-[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(5-hydroxypentoxy)phenyl]prop-2-enoate

Molecular Formula	C30H42O7
Molecular Weight	514.6
Exact Mass	514.29305367
LogP	4.70
Standard SMILES	COC1C(OC(=O)C=Cc2ccc(OCCCCCO)cc2)CCC2(CO2)C1C1(C)OC1CC=C(C)C
Canonical SMILES	CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC4=CC=C(C=C4)OCCCCCO)OC)C
Isomeric SMILES	CC(=CC[C@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC=C(C=C4)OCCCCCO)OC)C
Standard InChI Identifier	InChI=1S/C30H42O7/c1-21(2)8-14-25-29(3,37-25)28-27(33-4)24(16-17-30(28)20-35-30)36-26(32)15-11-22-9-12-23(13-10-22)34-19-7-5-6-18-31/h8-13,15,24-25,27-28,31H,5-7,14,16-20H2,1-4H3/b15-11+/t24-,25+,27-,28-,29-,30+/m1/s1
Standard InChI Key	STCPTHNFSKECBW-KFVKLYTNSA-N
Compound Complexity	813.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：1 Rotatable Bond Count：14 Heavy Atom Count：37 Total Chiral Atom Count：6 Defined Chiral Atom Count：6 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：514.29305367