(Q105240795)

English

(2S,3R,4R,5R,6R)-2-methyl-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12R,13R,14R,16R)-5',7,9,13-tetramethyl-14-[(2R,3R,4S,5R,6R)-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

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-Methyl-6-[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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

722.424127424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

nolinospiroside F

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4R,5R,6R)-2-methyl-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethyl-14-[(2R,3R,4S,5R,6R)-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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₆₂O₁₂

0 references

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

0 references

isomeric SMILES

C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C

0 references

Liriope spicata var. prolifera

1 reference

Comparative studies on the constituents of ophiopogonis tuber and its congeners. VI. Studies on the constituents of the subterranean part of Liriope spicata var. prolifera and L. muscari. (1).

Identifiers

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+/m0/s1

0 references

RMIQIULKBBCLIL-OBJWVPSOSA-N

0 references

1 reference

15 September 2022

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