(Q105382505)

English

(2S,3aR,7S,7aR)-7-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-3a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,7a-dihydroindene-6,1'-cyclopropane]-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-Hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-3a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,7a-dihydroindene-6,1'-cyclopropane]-1-one

1 reference

based on heuristic

inferred from SMILES

mass

428.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₉

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canonical SMILES

O=C1C2C(O)(C)C3(C(=CC2(OC4OC(CO)C(O)C(O)C4O)CC1(C)CO)C)CC3

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isomeric SMILES

CC1=C[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@](C)(CO)C(=O)[C@@H]2[C@](C)(O)C12CC2

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found in taxon

Pteridium aquilinum

1 reference

stated in

Isoptaquiloside and caudatoside, illudane-type sesquiterpene glucosides from Pteridium aquilinum var. caudatum

Pteridium esculentum

1 reference

stated in

Ptesculentoside, a novel norsesquiterpene glucoside from the Australian bracken fern Pteridium esculentum

Identifiers

InChI

InChI=1S/C21H32O9/c1-10-6-21(30-17-14(26)13(25)12(24)11(7-22)29-17)8-18(2,9-23)16(27)15(21)19(3,28)20(10)4-5-20/h6,11-15,17,22-26,28H,4-5,7-9H2,1-3H3/t11-,12-,13+,14-,15-,17+,18+,19+,21+/m1/s1

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InChIKey

ZSGRTASOYSKWGJ-VOAAHKDSSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105382505)

(2S,3aR,7S,7aR)-7-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-3a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,7a-dihydroindene-6,1'-cyclopropane]-1-one

Statements

Identifiers

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