(Q27108575)

English

Yamogenin 3-O-neohesperidoside

chemical compound

In more languages

Statements

type of chemical entity

0 references

0 references

722.424127±0 dalton

1 reference

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

stereoisomer of

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6S,7R,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2R,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₆₂O₁₂

1 reference

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

canonical SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1

1 reference

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

isomeric SMILES

C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C)OC1

1 reference

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

Borassus flabellifer

1 reference

Medicinal flowers. XII.(1)) New spirostane-type steroid saponins with antidiabetogenic activity from Borassus flabellifer

Solanum violaceum

1 reference

Indiosides G-K: steroidal glycosides with cytotoxic and anti-inflammatory activities from Solanum violaceum

Identifiers

InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1

1 reference

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

HDXIQHTUNGFJIC-SFYWSABLSA-N

2 references

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

CAS Common Chemistry

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=110996-52-6

HDXIQHTUNGFJIC-SFYWSABLSA-N

1 reference

language of work or name

(3beta,25S)-Spirost-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (English)

5 October 2016

2 references

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

matched by identifier from

HDXIQHTUNGFJIC-SFYWSABLSA-N

mapping relation type

2 references

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1

1 reference

language of work or name

CHEMBL2036080 (English)

5 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

1 reference

language of work or name

Yamogenin 3-O-neohesperidoside (English)

5 October 2016

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