(Q105240794)

English

2-methyl-6-[(1S,2S,4S,6R,8R,9S,12R,13R)-5',7,9,13-tetramethyl-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₉H₆₂O₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

722.424127424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₂O₁₂

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canonical SMILES

OC1C(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65)C3(C)C(OC8OC(C)C(O)C(O)C8O)C2)OC(C)C(O)C1O

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isomeric SMILES

CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(C)C(O)C(O)C6O)CC(OC6OC(C)C(O)C(O)C6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1C2C

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found in taxon

Liriope spicata

1 reference

stated in

Two new steroidal saponins from the tubers ofLiriope spicata

Liriope muscari

1 reference

stated in

Effects of the inhaled treatment of liriope radix on an asthmatic mouse model

Identifiers

InChI

InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(49-35-33(44)31(42)29(40)19(3)47-35)14-27(38(21,6)24(23)10-11-37(25,28)5)50-36-34(45)32(43)30(41)20(4)48-36/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17?,18?,19?,20?,22?,23-,24-,25+,26+,27?,28+,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1

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InChIKey

RMIQIULKBBCLIL-MFYCAQDYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RMIQIULKBBCLIL-MFYCAQDYSA-N

(Q105240794)

2-methyl-6-[(1S,2S,4S,6R,8R,9S,12R,13R)-5',7,9,13-tetramethyl-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol

Statements

Identifiers

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