(Q105267761)

English

3-[(3S,5R,8R,9S,10S,12S,13S,14S,17R)-3-[(2S,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cardanolides

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mass

564.293447608 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₁₀

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4C(=O)C(O)C23C

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isomeric SMILES

CO[C@H]1[C@@H](O)[C@H](C)O[C@H](O[C@H]2CC[C@]3(C)[C@H]4C(=O)[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O

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found in taxon

Strophanthus kombe

1 reference

stated in

Über neue Glykoside aus den Samen von Strophanthus kombé. 17. Mitteilung über Herzglykoside

Identifiers

InChI

InChI=1S/C30H44O10/c1-14-22(32)25(37-4)24(34)27(39-14)40-17-7-9-28(2)16(12-17)5-6-19-21(28)23(33)26(35)29(3)18(8-10-30(19,29)36)15-11-20(31)38-13-15/h11,14,16-19,21-22,24-27,32,34-36H,5-10,12-13H2,1-4H3/t14-,16+,17-,18+,19+,21+,22-,24+,25-,26+,27+,28-,29-,30-/m0/s1

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InChIKey

TYVPUZUDLFQZOP-CRIZSVAQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TYVPUZUDLFQZOP-CRIZSVAQSA-N

(Q105267761)

3-[(3S,5R,8R,9S,10S,12S,13S,14S,17R)-3-[(2S,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Statements

Identifiers

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