(Q105176926)

English

NBQRFRBWANJXJB-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₈H₈₂O₁₉

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Statements

instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

962.5450304040006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₈₂O₁₉

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canonical SMILES

OCC1OC(OC2C(O)C(OC(OC3CCC45CC65C(O)CC7(C)C(C(O)CC7(C)C6CCC4C3(C)C)C(C)CCC(O)C(C)C)C2OC8OC(CO)C(O)C(O)C8O)CO)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C48H82O19/c1-20(2)22(52)9-8-21(3)31-23(53)14-45(6)28-11-10-27-44(4,5)30(12-13-47(27)19-48(28,47)29(54)15-46(31,45)7)65-43-40(67-42-38(61)36(59)33(56)25(17-50)63-42)39(34(57)26(18-51)64-43)66-41-37(60)35(58)32(55)24(16-49)62-41/h20-43,49-61H,8-19H2,1-7H3

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InChIKey

NBQRFRBWANJXJB-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

NBQRFRBWANJXJB-UHFFFAOYSA-N

(Q105176926)

NBQRFRBWANJXJB-UHFFFAOYSA-N

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