(Q104980305)

English

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

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

5,14,16-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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

582.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₁₂

0 references

canonical SMILES

O=CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)C(O)CC45O

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

0 references

found in taxon

Strophanthus kombe

1 reference

stated in

Cardiac glycosides from Strophanthus kombe

Identifiers

InChI

InChI=1S/C29H42O12/c1-26-5-3-16-17(29(26,38)10-18(32)21(26)14-8-20(33)39-12-14)4-7-28(37)9-15(2-6-27(16,28)13-31)40-25-24(36)23(35)22(34)19(11-30)41-25/h8,13,15-19,21-25,30,32,34-38H,2-7,9-12H2,1H3/t15-,16-,17+,18-,19+,21+,22+,23-,24+,25+,26+,27-,28-,29-/m0/s1

0 references

InChIKey

DHKKVQBQUJXKMB-JLFYFGLKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DHKKVQBQUJXKMB-JLFYFGLKSA-N

(Q104980305)

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

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)