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Hebevinoside XIII

Properties

Image

Occurences in reactions

MNX_ID

MNXM126384

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

formula

C₄₉H₇₆O₁₆

charge

mass

920.51334

reference

hmdb:HMDB0034603

InChIKey

UXLRAUFZYMHXTO-UHFFFAOYSA-N

InChI

InChI=1S/C49H76O16/c1-24(2)14-13-15-25(3)37-33(63-45-39(56)38(55)41(61-28(6)52)35(64-45)22-58-26(4)50)21-49(12)43-32(54)20-31-30(47(43,10)18-19-48(37,49)11)16-17-36(46(31,8)9)65-44-40(57)42(62-29(7)53)34(23-59-44)60-27(5)51/h14,20,25,30,32-45,54-57H,13,15-19,21-23H2,1-12H3

SMILES

CC(=O)OCC1OC(OC2CC3(C)C4C(O)C=C5C(CCC(OC6OCC(OC(C)=O)C(OC(C)=O)C6O)C5(C)C)C4(C)CCC3(C)C2C(C)CCC=C(C)C)C(O)C(O)C1OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0034603	Hebevinoside XIII [3-(Acetyloxy)-6-[(5-{[4,5-bis(acetyloxy)-3-hydroxyoxan-2-yl]oxy}-9-hydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl)oxy]-4,5-dihydroxyoxan-2-yl]methyl acetic acid [3-(acetyloxy)-6-[(5-{[4,5-bis(acetyloxy)-3-hydroxyoxan-2-yl]oxy}-9-hydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl)oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate
hmdb:HMDB34603	secondary/obsolete/fantasy identifier