(Q105224602)

English

(1R,3R,4S,7R,8R,11S,12R,17R,19S,23R,27R)-11-hydroxy-3,7-dimethyl-8-(5-oxo-2H-furan-3-yl)-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.023,27]octacos-15-ene-5,6-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

11-hydroxy-3,7-dimethyl-8-(5-oxo-2H-furan-3-yl)-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.0³,¹⁵.0⁴,¹².0⁷,¹¹.0¹⁹,²⁷.0²³,²⁷]octacos-15-ene-5,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

542.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₀

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5=CC6OC7OCCC8OCOC78OC6CC5(C)C4C(=O)C(=O)C23C

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isomeric SMILES

C[C@]12C[C@H]3O[C@@]45OCO[C@@H]4CCO[C@H]5O[C@@H]3C=C1CC[C@@H]1[C@@H]2C(=O)C(=O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O

0 references

found in taxon

Elaeodendron glaucum

1 reference

stated in

Structures of Elaeodendrosides M, N, O P, Q, R and S. A Series of Cardiac Glycosides Isolated from Elaeodendron glaucum

Identifiers

InChI

InChI=1S/C29H34O10/c1-26-11-19-18(38-25-29(39-19)20(6-8-34-25)36-13-37-29)10-15(26)3-4-17-22(26)23(31)24(32)27(2)16(5-7-28(17,27)33)14-9-21(30)35-12-14/h9-10,16-20,22,25,33H,3-8,11-13H2,1-2H3/t16-,17-,18-,19-,20-,22-,25+,26+,27+,28+,29+/m1/s1

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InChIKey

QNPWKQMGKNFNFH-MBLUKRCMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105224602)

(1R,3R,4S,7R,8R,11S,12R,17R,19S,23R,27R)-11-hydroxy-3,7-dimethyl-8-(5-oxo-2H-furan-3-yl)-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.023,27]octacos-15-ene-5,6-dione

Statements

Identifiers

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