(Q105265364)

English

(3R,5S,8R,9S,10S,13R,14S,17R)-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]phenanthrene-10-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1R,3aS,5aS,7S,9aS,11aR)-3a,5a,7-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

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]phenanthrene-10-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

416.219888744 dalton

1 reference

1 reference

C₂₄H₃₂O₆

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canonical SMILES

O=CC12CCC(O)CC2(O)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)CCC34O

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isomeric SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1

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found in taxon

Common toad

1 reference

stated in

Hematological Studies on Naturally Occurring Substances. VI. Effects of an Animal Crude Drug "Chan Su"(Bufonis Venenum)on Blood Coagulation, Platelet Aggregation, Fibrinolysis System and Cytotoxicity

Identifiers

InChI

InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17-,18+,19-,21-,22+,23+,24+/m1/s1

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InChIKey

TVKPTWJPKVSGJB-IUZACKBSSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105265364)

(3R,5S,8R,9S,10S,13R,14S,17R)-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]phenanthrene-10-carbaldehyde

Statements

Identifiers

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