(Q105379077)

English

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5'-(Hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol

1 reference

based on heuristic

inferred from SMILES

mass

464.313789128 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₄O₆

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canonical SMILES

OCC1COC2(OC3CC4C5CC(O)C6CC(O)C(O)CC6(C)C5CCC4(C)C3C2C)CC1

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isomeric SMILES

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

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found in taxon

Allium atroviolaceum

1 reference

stated in

The sapogenin atroviolacegenin and its diglycoside atroviolaceoside from Allium atroviolaceum.

Identifiers

InChI

InChI=1S/C27H44O6/c1-14-24-23(33-27(14)7-4-15(12-28)13-32-27)10-18-16-8-20(29)19-9-21(30)22(31)11-26(19,3)17(16)5-6-25(18,24)2/h14-24,28-31H,4-13H2,1-3H3/t14-,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25-,26+,27+/m0/s1

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InChIKey

ZLPWWTIBBVLQOC-KEAPKNMASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105379077)

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol

Statements

Identifiers

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