(Q27134729)

Desacetyl-tanghinin (English)

3-[(1R,3S,5S,7S,10S,11R,14R,15S,18R)-7-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one

7 October 2016

stereoisomer of

1 reference

3-[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-7-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one

1 reference

3-[(1R,3S,5S,7S,10S,11R,14R,15S,18R)-7-[(2S,3S,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one

1 reference

3-[(1R,3S,5S,7S,10S,11S,14R,15R,18R)-7-[(2S,3S,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one

1 reference

chemical formula

C₃₀H₄₄O₉

1 reference

Desacetyl-tanghinin (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C46C(O6)CC3C2)O)C7=CC(=O)OC7)C)C)O)OC)O

1 reference

Desacetyl-tanghinin (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@]46[C@@H](O6)C[C@@H]3C2)O)C7=CC(=O)OC7)C)C)O)OC)O

1 reference

New cytotoxic cardenolide glycoside from the seeds of Cerbera manghas

Desacetyl-tanghinin (English)

7 October 2016

4 references

New cytotoxic cardenolide glycoside from the seeds of Cerbera manghas

New cytotoxic cardenolide glycoside from the seeds of Cerbera manghas

Studies on Cerbera. I. Cardiac glycosides in the seeds, bark, and leaves of Cerbera manghas L.

Cerbera odollam

1 reference

Cerbera. III. Cardenolide monoglycosides from the leaves of Cerbera odollam and Cerbera manghas.

Identifiers

InChI

InChI=1S/C30H44O9/c1-15-23(32)25(35-4)24(33)26(37-15)38-18-5-8-27(2)17(12-18)13-21-30(39-21)20(27)7-9-28(3)19(6-10-29(28,30)34)16-11-22(31)36-14-16/h11,15,17-21,23-26,32-34H,5-10,12-14H2,1-4H3/t15-,17-,18-,19+,20+,21-,23-,24-,25+,26-,27-,28+,29+,30+/m0/s1

1 reference

Desacetyl-tanghinin (English)

LVGNJQMAMYJAIL-FWMNQDIBSA-N

7 October 2016

InChIKey

2 references

Desacetyl-tanghinin (English)

7 October 2016

ChEBI release 2020-09-01

2 references

deacetyltanghinin (English)

LVGNJQMAMYJAIL-FWMNQDIBSA-N

7 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=4589-95-1

1 reference

(3beta,5beta,7alpha)-3-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide (English)

7 October 2016

2 references

Desacetyl-tanghinin (English)

matched by identifier from

7 October 2016

InChIKey

LVGNJQMAMYJAIL-FWMNQDIBSA-N

Reaxys registry number

1337482

1 reference

deacetyltanghinin (English)

7 October 2016

ChEBI ID

66193

mapping relation type

2 references

deacetyltanghinin (English)