(Q105146800)

English

KVXZMJLMKFIOSS-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₃H₈₆O₃₃S₃

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Statements

group of stereoisomers

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chemical compound

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1,346.421348212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₃H₈₆O₃₃S₃

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canonical SMILES

O=C(C)C1CCC2(C3=CCC4C(C)(C)C(OC5OCC(OS(=O)(=O)O)C(O)C5OC6OC(C)C(OC7OC(COS(=O)(=O)O)C(O)C(OC8OC(COS(=O)(=O)O)C(O)C(OC)C8O)C7O)C(O)C6OC9OCC(O)C(O)C9O)CCC4(C)C3CCC12C)C

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Cucumaria conicospermium

2 references

Koreoside A, a New Nonholostane Triterpene Glycoside from the Sea CucumberCucumariakoraiensis

Constituents of the sea cucumber Cucumaria okhotensis. Structures of okhotosides B1-B3 and cytotoxic activities of some glycosides from this species

Identifiers

InChI=1S/C53H86O33S3/c1-21(54)23-11-15-53(7)25-9-10-30-50(3,4)31(13-14-51(30,5)24(25)12-16-52(23,53)6)81-48-43(35(59)29(18-75-48)86-89(70,71)72)85-49-44(84-45-36(60)32(56)26(55)17-74-45)37(61)40(22(2)78-49)82-47-39(63)42(34(58)28(80-47)20-77-88(67,68)69)83-46-38(62)41(73-8)33(57)27(79-46)19-76-87(64,65)66/h9,22-24,26-49,55-63H,10-20H2,1-8H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)

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KVXZMJLMKFIOSS-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

KVXZMJLMKFIOSS-UHFFFAOYSA-N

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