(Q105160261)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

550.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₉

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC23C

0 references

isomeric SMILES

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

0 references

found in taxon

Strophanthus eminii

2 references

stated in

107. The glucosides of Strophanthus Emini

stated in

Die Glykoside der Samen von Strophanthus EminiiAsch. etPax. Glykoside und Aglykone, 56. Mitteilung

Identifiers

InChI

InChI=1S/C30H46O9/c1-16-23(32)25(36-4)24(33)26(38-16)39-18-5-9-27(2)20-6-10-28(3)19(17-13-22(31)37-15-17)8-12-30(28,35)21(20)7-11-29(27,34)14-18/h13,16,18-21,23-26,32-35H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+/m1/s1

0 references

InChIKey

MABTYQWWFMMYTE-BCWUTXODSA-N

0 references

CAS Registry Number

514-42-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MABTYQWWFMMYTE-BCWUTXODSA-N

(Q105160261)

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

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Identifiers

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