(Q105226212)

English

(1S,2R,4S,5R,10S,11S,13R,15S,18R)-10,15-dimethyl-5-[(1R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,15-Dimethyl-5-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

1 reference

based on heuristic

inferred from SMILES

mass

510.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₁₂

0 references

canonical SMILES

O=C1OC(C(OC2OC(CO)C(O)C(O)C2O)C)C34OC4C5OC(=O)C6(C)CC7OC7C(C3=C1)(C)C56

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isomeric SMILES

C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1OC(=O)C=C2[C@@]3(C)[C@@H]4O[C@@H]4C[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@@]231

0 references

found in taxon

Podocarpus macrophyllus

1 reference

stated in

Cytotoxic bisnor- and norditerpene dilactones having 7alpha,8alpha-epoxy-9,11-enolide substructure from Podocarpus macrophyllus D. DON.

Identifiers

InChI

InChI=1S/C24H30O12/c1-7(31-20-14(29)13(28)12(27)9(6-25)33-20)17-24-10(4-11(26)34-17)23(3)16-15(19(24)36-24)35-21(30)22(16,2)5-8-18(23)32-8/h4,7-9,12-20,25,27-29H,5-6H2,1-3H3/t7-,8-,9-,12-,13+,14-,15+,16+,17-,18-,19-,20-,22+,23-,24-/m1/s1

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InChIKey

QRDCYIJBUJTZDO-SEPVVNAESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QRDCYIJBUJTZDO-SEPVVNAESA-N

(Q105226212)

(1S,2R,4S,5R,10S,11S,13R,15S,18R)-10,15-dimethyl-5-[(1R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

Statements

Identifiers

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