oleandrin (Q411532)

imported from Wikimedia project

inferred from SMILES

chemical structure

Oleandrin.png
990 × 569; 14 KB

1 reference

German Wikipedia

Oleandrin-skeletal.svg
512 × 298; 39 KB

0 references

mass

576.329833±0 dalton

1 reference

OLEANDRIN (English)

6 October 2016

0 references

2 references

2 references

[(3S,5R,8R,9S,10S,13R,14S,16R,17R)-14-hydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

inferred from InChI

1 reference

[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

1 reference

inferred from InChI

chemical formula

C₃₂H₄₈O₉

1 reference

OLEANDRIN (English)

6 October 2016

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O

1 reference

OLEANDRIN (English)

6 October 2016

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O

1 reference

Chemical Constituents of the Genus Illicium

OLEANDRIN (English)

6 October 2016

1 reference

Daphnis nerii

1 reference

Presence of cardenolides and ursolic acid from oleander leaves in larvae and frass of Daphnis nerii

Nerium indicum

3 references

Presence of cardenolides and ursolic acid from oleander leaves in larvae and frass of Daphnis nerii

Molluscicidal activity of Nerium indicum bark

Pregnanes in the root bark of Nerium odorum

Plumeria obtusa

2 references

Pentacyclic triterpenoids from the leaves of Plumeria obtusa

Pentacyclic triterpenoids from the leaves of Plumeria obtusa

Nerium oleander

4 references

Presence of cardenolides and ursolic acid from oleander leaves in larvae and frass of Daphnis nerii

Pregnanes in the root bark of Nerium odorum

Molluscicidal activity of Nerium indicum bark

LC/MS/MS analyses of an oleander extract for cancer treatment

0 references

0 references

0 references

Oleandrin

0 references

Identifiers

InChI

InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1

1 reference

OLEANDRIN (English)

6 October 2016

2 references

OLEANDRIN (English)

6 October 2016

ChEBI release 2020-09-01

2 references

oleandrin (English)

6 October 2016

https://commonchemistry.cas.org/detail?cas_rn=465-16-7

10 April 2021

1 reference

Oleandrin (English)

6 October 2016

2 references

OLEANDRIN (English)

6 October 2016

Reaxys registry number

101529

1 reference

oleandrin (English)

6 October 2016

mapping relation type

2 references

oleandrin (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1

ChEMBL ID

CHEMBL109718

1 reference

imported from Wikimedia project

2 references

1 reference

MassBank accession ID

MSBNK-Waters-WA002667

0 references

MSBNK-Waters-WA002668

0 references

MSBNK-Waters-WA002669

0 references

MSBNK-Waters-WA002670

0 references

MSBNK-Waters-WA002671

0 references

HSDB ID

3518

1 reference

Hazardous Substances Data Bank

28 October 2019

Oleandrin (English)

10 May 2021

207-361-5

1 reference

Global Substance Registration System

UNII

II95UDU7I4

OLEANDRIN (English)

ECHA Substance Infocard ID

6 October 2016

100.006.693

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.693

27 December 2018

16β-acetoxy-3β-(2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyloxy)-14-hydroxycard-20(22)-enolide (English)

quotation

CAS no.: 465-16-7 (English)

DrugBank ID

DB12843

1 reference

KNApSAcK ID

C00056028

2 references

UNII

II95UDU7I4

2 references

Global Substance Registration System

UNII

II95UDU7I4

OLEANDRIN (English)

6 October 2016

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

0 references

1 reference

1 reference

15 January 2022