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Quinquenoside IV

Properties

Image

Occurences in reactions

MNX_ID

MNXM130221

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₅₄H₉₀O₂₄

charge

mass

1122.5822

reference

hmdb:HMDB0032829

InChIKey

SKOMPTIDEDWVJD-UHFFFAOYSA-N

InChI

InChI=1S/C54H90O24/c1-22(2)10-9-13-53(7,78-48-44(70)40(66)37(63)28(75-48)21-71-46-42(68)38(64)34(60)25(18-55)72-46)23-11-15-52(6)33(23)24(58)16-30-51(5)14-12-32(50(3,4)29(51)17-31(59)54(30,52)8)76-49-45(41(67)36(62)27(20-57)74-49)77-47-43(69)39(65)35(61)26(19-56)73-47/h10,17,23-28,30-49,55-70H,9,11-16,18-21H2,1-8H3

SMILES

CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0032829	Quinquenoside IV 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol Kayaester O Kayaester O 50 Octaneperoxoic acid, 1,1-dimethylethyl ester Octaneperoxoic acid, 9ci Peroctanoic acid Peroxyoctanoate Peroxyoctanoic acid, tert-butyl ester Tert-butyl octaneperoxoate Tert-butyl percaprylate Tert-butyl peroctanoate Tert-butyl peroctoate Tert-butyl peroxyoctanoate Tert-butyl peroxyoctoate
hmdb:HMDB32829	secondary/obsolete/fantasy identifier