(Q105312941)

English

(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-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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Statements

instance of

type of chemical entity

0 references

subclass of

3-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-5,12,14-trihydroxy-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

580.288362228 dalton

1 reference

1 reference

inferred from InChIKey

(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-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

1 reference

1 reference

C₃₀H₄₄O₁₁

0 references

canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(O)C3OC)CC2(O)CCC4C1CC(O)C5(C)C(C6=CC(=O)OC6)CCC45O

0 references

isomeric SMILES

CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)O[C@H]1O[C@H]1CC[C@]2(C=O)[C@H]3C[C@@H](O)[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1

0 references

found in taxon

Antiaris toxicaria

2 references

stated in

Cardiac glycosides from Antiaris toxicaria with potent cardiotonic activity

stated in

Toxicarioside B and toxicarioside C. New cardenolides isolated from Antiaris toxicaria latex-derived dart poison

Identifiers

InChI

InChI=1S/C30H44O11/c1-15-23(34)24(35)25(38-3)26(40-15)41-17-4-7-28(14-31)20-11-21(32)27(2)18(16-10-22(33)39-13-16)6-9-30(27,37)19(20)5-8-29(28,36)12-17/h10,14-15,17-21,23-26,32,34-37H,4-9,11-13H2,1-3H3/t15-,17+,18-,19-,20+,21-,23-,24+,25-,26+,27+,28+,29+,30+/m1/s1

0 references

InChIKey

WUAYGHQTMPWDRU-RQYJWGPNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WUAYGHQTMPWDRU-RQYJWGPNSA-N

1 reference

(Q105312941)

(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-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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