(Q105183021)

English

3-[(1S,3S,5S,7R,9S,10R,12S,14S,15S,17R,18S,19R,22S,23R)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3-[9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

3-[(1S,3R,5S,7S,9R,10S,12R,14R,17R,18S,19R,22S)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

566.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(1S,3R,5S,7S,9S,10S,12R,14R,15S,17R,18S,19R,22S,23R)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

3-[(1S,3R,5S,7S,9R,10S,12R,14R,15S,17R,18S,19R,22R,23R)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₁₁

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC6OC7OC(CO)CC(O)C7(O)OC6CC5(CO)C4CC(O)C23C

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isomeric SMILES

C[C@]12[C@H](O)C[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@H]6O[C@@H](CO)C[C@H](O)[C@@]6(O)O[C@H]5C[C@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

0 references

found in taxon

Pergularia tomentosa

1 reference

stated in

Cardenolide glycosides from Pergularia tomentosa and their proapoptotic activity in Kaposi's sarcoma cells

Identifiers

InChI

InChI=1S/C29H42O11/c1-26-17(14-6-24(34)37-12-14)4-5-28(26,35)18-3-2-15-7-20-21(10-27(15,13-31)19(18)9-22(26)32)40-29(36)23(33)8-16(11-30)38-25(29)39-20/h6,15-23,25,30-33,35-36H,2-5,7-13H2,1H3/t15-,16+,17+,18+,19-,20-,21-,22+,23-,25-,26-,27-,28-,29+/m0/s1

0 references

InChIKey

NPHHLSOQKLWOCK-QOSKVSNOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPHHLSOQKLWOCK-QOSKVSNOSA-N

(Q105183021)

3-[(1S,3S,5S,7R,9S,10R,12S,14S,15S,17R,18S,19R,22S,23R)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

Statements

Identifiers

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