(Q105264843)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4S,5R,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

480.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4S,5R,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₆H₄₀O₈

0 references

canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C4CCC5C(=C)CC4(C5)C(O)CC23

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isomeric SMILES

C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C[C@H]3O

0 references

found in taxon

Ipomoea nil

2 references

stated in

Diterpene glycosides from the seeds of Pharbitis nil.

stated in

Diterpene glycosides from the seeds of Pharbitis nil.

Identifiers

InChI

InChI=1S/C26H40O8/c1-13-10-26-11-14(13)5-6-16(26)24(2)7-4-8-25(3,17(24)9-18(26)28)23(32)34-22-21(31)20(30)19(29)15(12-27)33-22/h14-22,27-31H,1,4-12H2,2-3H3/t14-,15-,16+,17+,18-,19-,20+,21-,22+,24+,25-,26+/m1/s1

0 references

InChIKey

TUMAVTPFEIQOKS-HOSQFIAOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TUMAVTPFEIQOKS-HOSQFIAOSA-N

1 reference

(Q105264843)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4S,5R,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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Identifiers

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