(Q105023750)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

516.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₇

0 references

canonical SMILES

O=C1OCC(=C1)C2=CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6)CCC5(C)C4CCC23C

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isomeric SMILES

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

0 references

found in taxon

Adenium obesum

1 reference

stated in

Cardiac glycosides and pregnanes from Adenium obesum (studies on the constituents of Adenium. I)

Identifiers

InChI

InChI=1S/C30H44O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h9,13,17,19-20,22-24,26-27,32-33H,5-8,10-12,14-16H2,1-4H3/t17-,19-,20+,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

GYHJUCGZRYCVFH-GONSOLTASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GYHJUCGZRYCVFH-GONSOLTASA-N

(Q105023750)

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

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Identifiers

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