(Q105330614)

English

XMANEHWCOFYLNX-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₀H₉₄O₃₄S₂

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Statements

group of stereoisomers

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lanostane triterpenoid

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lanostane triterpenoid

1,422.5067920879992 dalton

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based on heuristic

inferred from InChI

chemical formula

C₆₀H₉₄O₃₄S₂

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canonical SMILES

O=C1OC(C)(CCC(=O)C(=C)C)C2CCC3(C)C4C(=CC(O)C123)C5(C)CCC(OC6OCC(OC7OC(COS(=O)(=O)O)C(O)C(O)C7O)C(O)C6OC8OC(C)C(OC9OC(COS(=O)(=O)O)C(O)C(OC%10OC(CO)C(O)C(OC)C%10O)C9O)C(O)C8O)C(C)(C)C5CC4

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Identifiers

InChI=1S/C60H94O34S2/c1-23(2)27(62)12-17-59(8)33-13-16-58(7)25-10-11-32-56(4,5)35(14-15-57(32,6)26(25)18-34(63)60(33,58)55(74)94-59)90-54-49(39(67)29(20-82-54)87-51-42(70)40(68)36(64)30(88-51)21-83-95(75,76)77)93-50-43(71)41(69)46(24(3)85-50)91-53-45(73)48(38(66)31(89-53)22-84-96(78,79)80)92-52-44(72)47(81-9)37(65)28(19-61)86-52/h18,24-25,28-54,61,63-73H,1,10-17,19-22H2,2-9H3,(H,75,76,77)(H,78,79,80)

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XMANEHWCOFYLNX-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

XMANEHWCOFYLNX-UHFFFAOYSA-N

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