(Q105282402)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(3aS,3bR,5aR,9aS,9bR,11aR)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

(2S,3aS,5aR,7S,9aS,11aR)-7-{[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

592.324747736 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

Uzqozjnedxajez-pcmiwtpesa-

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₈O₁₀

0 references

canonical SMILES

O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC23C

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

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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/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16-,19-,20+,21+,22-,23-,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1

0 references

InChIKey

UZQOZJNEDXAJEZ-NMCJNNRGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105282402)

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

Statements

Identifiers

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