(Q105153074)

English

5-[(1R,2S,4R,6R,7R,9R,10S,11R,14S,16S)-9,14,16-trihydroxy-11-(hydroxymethyl)-7-methyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-[9,14,16-Trihydroxy-11-(hydroxymethyl)-7-methyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

432.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₇

0 references

canonical SMILES

O=C1OC=C(C=C1)C2CC3OC34C5CCC6(O)CC(O)CCC6(CO)C5C(O)CC24C

0 references

isomeric SMILES

C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1

0 references

found in taxon

Cane Toad (Rhinella marina)

1 reference

stated in

Structures of novel bufadienolides in the eggs of a toad, Bufo marinus

Identifiers

InChI

InChI=1S/C24H32O7/c1-21-10-17(27)20-15(5-7-23(29)9-14(26)4-6-22(20,23)12-25)24(21)18(31-24)8-16(21)13-2-3-19(28)30-11-13/h2-3,11,14-18,20,25-27,29H,4-10,12H2,1H3/t14-,15+,16+,17+,18+,20+,21+,22-,23-,24+/m0/s1

0 references

InChIKey

LKJCXBYOBRRWCR-XZLROWKBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKJCXBYOBRRWCR-XZLROWKBSA-N

1 reference

1 reference

LKJCXBYOBRRWCR-XZLROWKBSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q105153074)

5-[(1R,2S,4R,6R,7R,9R,10S,11R,14S,16S)-9,14,16-trihydroxy-11-(hydroxymethyl)-7-methyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

Statements

Identifiers

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