(Q105329143)

English

5-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(1,3,5,14-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

418.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₆

0 references

canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5(O)CC(O)CC(O)C5(C)C4CCC23C

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isomeric SMILES

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

0 references

found in taxon

Common toad

1 reference

stated in

Studies on cytotoxic constituents from the skin of the toad Bufo bufo gargarizans

Asiatic toad

1 reference

stated in

Studies on cytotoxic constituents from the skin of the toad Bufo bufo gargarizans

Identifiers

InChI

InChI=1S/C24H34O6/c1-21-8-5-17-18(6-9-23(28)12-15(25)11-19(26)22(17,23)2)24(21,29)10-7-16(21)14-3-4-20(27)30-13-14/h3-4,13,15-19,25-26,28-29H,5-12H2,1-2H3/t15-,16+,17-,18+,19+,21+,22-,23-,24-/m0/s1

0 references

InChIKey

XJQLUUYKMFPVPJ-ZYBWNTRQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XJQLUUYKMFPVPJ-ZYBWNTRQSA-N

(Q105329143)

5-[(1R,3S,5S,8R,9S,10S,13R,14S,17R)-1,3,5,14-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

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Identifiers

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