(Q104967483)

English

3-[(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-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[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

3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

550.314183052 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

Cpfnikyedjfrat-ypovqpidsa-

1 reference

based on heuristic

inferred from InChI

3-[(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-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[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)C2C(O)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](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/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,23+,24-,25-,26+,27+,28+,29-,30+/m1/s1

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InChIKey

CPFNIKYEDJFRAT-JALCIOOHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPFNIKYEDJFRAT-JALCIOOHSA-N

(Q104967483)

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

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Identifiers

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