(Q105006117)

English

Tubeimoside II

group of stereoisomers with the chemical formula C₆₃H₉₈O₃₀

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Statements

group of stereoisomers

0 references

oleanane triterpenoid

1 reference

oleanane triterpenoid

1,334.6142917359994 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₃H₉₈O₃₀

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canonical SMILES

O=C1OC2COC(OC3C(O)C(O)C(OC3OC4C(O)CC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CCC8(C(=O)OC9OCC(O)C(O)C9OC%10OC(C)C(OC(=O)CC(O)(C)C1)C(OC%11OCC(O)C(O)C%11O)C%10O)C(O)CC76C)C4(C)CO)CO)C(O)C2O

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Bolbostemma paniculatum

2 references

Studies on the chemical constituents of Bolbostemma paniculatum (Maxim) franquet: IV. The structures of tubeimosides II, III, and IV

Saponins from Bolbostemma paniculatum: Cyclic bisdesmosides, tubeimosides II and III

Identifiers

InChI=1S/C63H98O30/c1-25-46-47(89-51-43(77)38(72)29(67)21-82-51)45(79)53(85-25)91-48-39(73)30(68)22-83-54(48)93-56(80)63-14-13-57(2,3)15-27(63)26-9-10-34-59(5)16-28(66)50(60(6,24-65)33(59)11-12-61(34,7)62(26,8)17-35(63)69)92-55-49(42(76)40(74)31(20-64)87-55)90-52-44(78)41(75)32(23-84-52)86-36(70)18-58(4,81)19-37(71)88-46/h9,25,27-35,38-55,64-69,72-79,81H,10-24H2,1-8H3

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GBWAAJJGXQJTTA-UHFFFAOYSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

GBWAAJJGXQJTTA-UHFFFAOYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C63H98O30/c1-25-46-47(89-51-43(77)38(72)29(67)21-82-51)45(79)53(85-25)91-48-39(73)30(68)22-83-54(48)93-56(80)63-14-13-57(2,3)15-27(63)26-9-10-34-59(5)16-28(66)50(60(6,24-65)33(59)11-12-61(34,7)62(26,8)17-35(63)69)92-55-49(42(76)40(74)31(20-64)87-55)90-52-44(78)41(75)32(23-84-52)86-36(70)18-58(4,81)19-37(71)88-46/h9,25,27-35,38-55,64-69,72-79,81H,10-24H2,1-8H3

UniChem compound ID

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Probes And Drugs ID

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