(Q105238506)

English

[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

474.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₄O₈

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canonical SMILES

O=CC12C(OC(=O)C)CC(O)CC2(O)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)CCC34O

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H](O)C[C@@]2(O)CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]12C=O

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found in taxon

Kalanchoe daigremontiana

4 references

stated in

Insecticidal compounds from Kalanchoe daigremontiana x tubiflora.

stated in

New Bufadienolides from Kalanchoe daigremontiana Hamet et Perr. (Crassulaceae)

stated in

Die toxischen und sedierend wirkenden Bufadienolide vonKalanchoedaigremontiana HAMETet PERR

stated in

Two new flavonol glycosides and a metabolite profile of Bryophyllum pinnatum, a phytotherapeutic used in obstetrics and gynaecology.

Kalanchoe spathulata

1 reference

stated in

Cytotoxic principles and α-pyrone ring-opening derivatives of bufadienolides from Kalanchoe hybrida

Kalanchoe integra

1 reference

stated in

Cytotoxic principles and α-pyrone ring-opening derivatives of bufadienolides from Kalanchoe hybrida

Kalanchoe deficiens

1 reference

stated in

Cytotoxic principles and α-pyrone ring-opening derivatives of bufadienolides from Kalanchoe hybrida

Kalanchoe lanceolata

1 reference

stated in

Cytotoxic principles and α-pyrone ring-opening derivatives of bufadienolides from Kalanchoe hybrida

Identifiers

InChI

InChI=1S/C26H34O8/c1-15(28)34-21-11-17(29)12-24(31)9-6-20-19(25(21,24)14-27)5-8-23(2)18(7-10-26(20,23)32)16-3-4-22(30)33-13-16/h3-4,13-14,17-21,29,31-32H,5-12H2,1-2H3/t17-,18+,19-,20+,21+,23+,24-,25-,26-/m0/s1

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InChIKey

RKMAEUSVJAICNS-LYKPKXNDSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105238506)

[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate

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