(Q104937772)

English

(2R,6R)-6-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[[17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one

1 reference

based on heuristic

inferred from SMILES

mass

474.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,6R)-6-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one

1 reference

based on heuristic

inferred from InChI

(2R,6S)-6-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₆

0 references

canonical SMILES

O=C1C(OC)=CC(OC1OC2CC3=CCC4C(CCC5(C)C4CCC5(O)C(O)C)C3(C)CC2)C

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isomeric SMILES

COC1=C[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O)[C@@]5(C)CC[C@@H]43)C2)C1=O

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found in taxon

Periploca sepium

1 reference

stated in

Five New Pregnane Glycosides from the Root Barks ofPeriploca sepium

Identifiers

InChI

InChI=1S/C28H42O6/c1-16-14-23(32-5)24(30)25(33-16)34-19-8-11-26(3)18(15-19)6-7-20-21(26)9-12-27(4)22(20)10-13-28(27,31)17(2)29/h6,14,16-17,19-22,25,29,31H,7-13,15H2,1-5H3/t16-,17+,19+,20-,21+,22+,25+,26+,27+,28+/m1/s1

0 references

InChIKey

BKSQGHJUZLOGBO-PPFJBMCYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BKSQGHJUZLOGBO-PPFJBMCYSA-N

(Q104937772)

(2R,6R)-6-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one

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