(Q105030979)

English

14,15beta-Dihydroxy-3beta,2alpha-[[[(2S,3S,4S,6R)-tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran]-2,3-diyl]bis(oxy)]-5alpha-card-20(22)-enolide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cardanolides

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mass

534.282882924 dalton

1 reference

1 reference

C₂₉H₄₂O₉

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canonical SMILES

O=C1OCC(=C1)C2CC(O)C3(O)C4CCC5CC6OC7OC(C)CC(O)C7(O)OC6CC5(C)C4CCC23C

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isomeric SMILES

C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)C[C@@H](O)[C@]54O)C[C@H]3O[C@@H]2O1

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found in taxon

Gomphocarpus sinaicus

2 references

stated in

Cardenolide glycosides with doubly linked sugars from Gomphocarpus sinaicus

stated in

Re-investigation of the cardenolide glycosides from Gomphocarpus sinaicus

Identifiers

InChI

InChI=1S/C29H42O9/c1-14-8-23(31)29(34)25(36-14)37-20-10-16-4-5-18-17(26(16,2)12-21(20)38-29)6-7-27(3)19(11-22(30)28(18,27)33)15-9-24(32)35-13-15/h9,14,16-23,25,30-31,33-34H,4-8,10-13H2,1-3H3/t14-,16+,17+,18-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29+/m1/s1

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InChIKey

HNOFNBVWCFKUEQ-GMPNGYBSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HNOFNBVWCFKUEQ-GMPNGYBSSA-N

1 reference

(Q105030979)

14,15beta-Dihydroxy-3beta,2alpha-[[[(2S,3S,4S,6R)-tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran]-2,3-diyl]bis(oxy)]-5alpha-card-20(22)-enolide

Statements

Identifiers

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