(Q105009951)

English

(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R,19R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.7.0.02,9.04,8.013,18]nonadecane-6,2'-oxane]-19-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

16',18'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]nonadecane]-19'-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

446.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₂O₅

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canonical SMILES

O=CC1C2C(CCC3(C)C2CC4OC5(OCC(C)CC5)C(C)C43)C6(C)CCC(O)CC16O

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isomeric SMILES

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

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found in taxon

Polynesian arrowroot

1 reference

stated in

A B-ring contracted spirostane from Tacca leontopetaloides

Identifiers

InChI

InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3/t15-,16+,17+,18+,19+,20-,21+,22-,23+,24+,25-,26-,27-/m1/s1

0 references

InChIKey

GKGKOBNJESCNOE-PHYFNPPMSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

GKGKOBNJESCNOE-PHYFNPPMSA-N

1 reference

(Q105009951)

(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R,19R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.7.0.02,9.04,8.013,18]nonadecane-6,2'-oxane]-19-carbaldehyde

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