(Q115950600)

English

(2S,3R,4S,5S,6R)-2-[(3S,6R)-6-[(1S,6R,7R,10S,11R,12R,14S,16R,18S)-16,18-dihydroxy-6,10,15,15-tetramethyl-19-oxapentacyclo[10.6.1.01,14.03,11.06,10]nonadec-3-en-7-yl]-3-hydroxy-2-methylheptan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[6-(16,18-Dihydroxy-6,10,15,15-tetramethyl-19-oxapentacyclo[10.6.1.01,14.03,11.06,10]nonadec-3-en-7-yl)-3-hydroxy-2-methylheptan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

652.41864812 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₆₀O₁₀

0 references

canonical SMILES

OCC1OC(OC(C)(C)C(O)CCC(C)C2CCC3(C)C4C(=CCC23C)CC56OC4CC5C(C)(C)C(O)CC6O)C(O)C(O)C1O

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isomeric SMILES

C[C@H](CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@H]3C(=CC[C@]12C)C[C@]12O[C@@H]3C[C@H]1C(C)(C)[C@H](O)C[C@@H]2O

0 references

found in taxon

Lessertia frutescens

1 reference

stated in

Cycloartane glycosides from Sutherlandia frutescens

Identifiers

InChI

InChI=1S/C36H60O10/c1-18(8-9-24(38)33(4,5)46-31-30(43)29(42)28(41)22(17-37)44-31)20-11-13-35(7)27-19(10-12-34(20,35)6)16-36-23(14-21(27)45-36)32(2,3)25(39)15-26(36)40/h10,18,20-31,37-43H,8-9,11-17H2,1-7H3/t18-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,34-,35+,36+/m1/s1

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InChIKey

IJIRIYRJOZNSDB-GLTOIWDDSA-N

0 references

1 reference

2 January 2023

inferred from InChIKey

(Q115950600)

(2S,3R,4S,5S,6R)-2-[(3S,6R)-6-[(1S,6R,7R,10S,11R,12R,14S,16R,18S)-16,18-dihydroxy-6,10,15,15-tetramethyl-19-oxapentacyclo[10.6.1.01,14.03,11.06,10]nonadec-3-en-7-yl]-3-hydroxy-2-methylheptan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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