(Q105145190)

English

(1R,2S,3R,4R,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,10,16-triol

chemical compound

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instance of

type of chemical entity

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subclass of

5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,10,16-triol

1 reference

based on heuristic

inferred from SMILES

mass

448.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,3R,4R,5'R,6R,7S,8R,9R,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,10,16-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₄O₅

0 references

canonical SMILES

OC1CCC2(C)C(CCC3C2CC(O)C4(C)C3C(O)C5OC6(OCC(C)CC6)C(C)C54)C1

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isomeric SMILES

C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C

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found in taxon

Cestrum parqui

1 reference

stated in

Structural characterization of phytotoxic terpenoids from Cestrum parqui

Identifiers

InChI

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

KRRVFCHKYIKQTQ-UWYJHYEASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KRRVFCHKYIKQTQ-UWYJHYEASA-N

1 reference

(Q105145190)

(1R,2S,3R,4R,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,10,16-triol

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