PubChemLite - (3b,16a)-dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester (C63H102O30)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)O)C)(C)C)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O

InChI

InChI=1S/C63H102O30/c1-24-47(89-52-46(80)48(28(67)22-83-52)90-51-42(76)36(70)27(66)21-82-51)41(75)45(79)53(85-24)92-50-49(91-55-44(78)40(74)38(72)31(20-65)87-55)29(68)23-84-56(50)93-57(81)63-16-15-58(2,3)17-26(63)25-9-10-33-60(6)13-12-35(88-54-43(77)39(73)37(71)30(19-64)86-54)59(4,5)32(60)11-14-61(33,7)62(25,8)18-34(63)69/h9,24,26-56,64-80H,10-23H2,1-8H3

InChIKey

VXYPUHHQOBARSV-UHFFFAOYSA-N

Compound name

[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Related CIDs

Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1339.6529	353.7
[M+Na]+	1361.6348	349.6
[M+NH4]+	1356.6794	352.5
[M+K]+	1377.6088	355.9
[M-H]-	1337.6383	348.4
[M+Na-2H]-	1359.6203	374.1
[M]+	1338.6451	352.1
[M]-	1338.6461	352.1

(3b,16a)-dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)]-arabinosyl] ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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