(Q105187150)

English

(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

566.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₁₁

0 references

canonical SMILES

O=CC12CCC(OC3OC(C(O)CO)C(O)C3O)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

0 references

isomeric SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O[C@@H]5O[C@H]([C@H](O)CO)[C@H](O)[C@H]5O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

0 references

found in taxon

Coronilla glauca

1 reference

stated in

Cardenolides ofCoronilla glauca andC. scorpioides

Coronilla valentina

1 reference

stated in

Cardenolides ofCoronilla glauca andC. scorpioides

Coronilla scorpioides

3 references

stated in

Coronillobiosidol ? A cardenolide glycoside from seeds of Coronilla scorpioides

stated in

Cardenolides ofCoronilla glauca andC. scorpioides

stated in

Scorpioside—A cardenolide glycoside fromCoronilla scorpioides

Identifiers

InChI

InChI=1S/C29H42O11/c1-26-6-3-18-19(29(26,37)9-5-17(26)15-10-21(33)38-13-15)4-8-28(36)11-16(2-7-27(18,28)14-31)39-25-23(35)22(34)24(40-25)20(32)12-30/h10,14,16-20,22-25,30,32,34-37H,2-9,11-13H2,1H3/t16-,17+,18-,19+,20+,22+,23+,24+,25+,26+,27-,28-,29-/m0/s1

0 references

InChIKey

NXFPONPKUDPINF-LSKCFZDESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NXFPONPKUDPINF-LSKCFZDESA-N

(Q105187150)

(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Statements

Identifiers

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