(Q105259405)

English

(1S,2S,4S,5'R,6R,7S,8R,9R,12R,13S,14S,15S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16-triol

1 reference

based on heuristic

inferred from SMILES

mass

448.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(25S)-spirostan-1beta,2beta,3alpha-triol

1 reference

based on heuristic

inferred from InChIKey

Tokorogenin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₄O₅

0 references

canonical SMILES

OC1CC2CCC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)C(O)C1O

0 references

isomeric SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)[C@H](O)[C@@H](O)[C@]5(C)[C@@H]4CC[C@]32C)O[C@]12CC[C@@H](C)CO2

0 references

found in taxon

Dioscorea tokoro

1 reference

stated in

Steroidal sapogenins and sterols in tissue cultures of dioscorea tokoro

Identifiers

InChI

InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)12-19-17-6-5-16-11-20(28)23(29)24(30)26(16,4)18(17)8-9-25(19,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17-,18-,19+,20-,21+,22+,23+,24-,25-,26+,27-/m1/s1

0 references

InChIKey

SRTGQBIWSBCVSM-XZQLKIIMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRTGQBIWSBCVSM-XZQLKIIMSA-N

(Q105259405)

(1S,2S,4S,5'R,6R,7S,8R,9R,12R,13S,14S,15S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16-triol

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Identifiers

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