(Q105176970)

English

(4S,5R,7R,8R,13R,16S,19R,22R)-8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one

1 reference

based on heuristic

inferred from SMILES

mass

506.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₉

0 references

canonical SMILES

O=C1OC2COC3(OC=C(CCC4C1CC=C5CC(OC6OC(C)C(O)C(O)C6)C(O)CC54C)C23)C

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isomeric SMILES

C[C@H]1O[C@@H](O[C@@H]2CC3=CC[C@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]4[C@@]3(C)C[C@H]2O)[C@H]56)C[C@H](O)[C@@H]1O

0 references

found in taxon

Vincetoxicum sublanceolatum

2 references

stated in

Glycosides of 14,15-seco and 13,14:14,15-disecopregnanes from the roots of Cynanchum sublanceolatum

stated in

Glycosides of 14,15-seco and 13,14:14,15-disecopregnanes from the roots of Cynanchum sublanceolatum

Identifiers

InChI

InChI=1S/C27H38O9/c1-13-24(30)18(28)9-22(34-13)35-20-8-15-5-6-16-17(26(15,2)10-19(20)29)7-4-14-11-32-27(3)23(14)21(12-33-27)36-25(16)31/h5,11,13,16-24,28-30H,4,6-10,12H2,1-3H3/t13-,16-,17+,18+,19-,20-,21-,22+,23-,24-,26+,27+/m1/s1

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InChIKey

NBSLMGGFDFYBBH-LGEHQYLQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105176970)

(4S,5R,7R,8R,13R,16S,19R,22R)-8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one

Statements

Identifiers

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