(Q105186165)

English

(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

chemical compound

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instance of

type of chemical entity

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subclass of

5,7',9',13'-tetramethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one

1 reference

based on heuristic

inferred from SMILES

mass

592.361133244 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₃H₅₂O₉

0 references

canonical SMILES

O=C1CC2C(CCC3CC(OC4OC(CO)C(O)C(O)C4O)CCC32C)C5CC6OC7(OCC(C)CC7)C(C)C6C15C

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isomeric SMILES

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

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found in taxon

Tribulus terrestris

1 reference

stated in

Steroidal glycosides of Tribulus terrestris Linn

Identifiers

InChI

InChI=1S/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,26-,27+,28-,29+,30+,31-,32+,33+/m0/s1

0 references

InChIKey

NVCUAFIUMZCPGV-MHUGZNSJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105186165)

(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

Statements

Identifiers

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