(Q105155003)

English

12-epi-Teucjaponin A

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

1 reference

404.183503236 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R,5'R)-4'aalpha-[(Acetyloxy)methyl]-5-(3-furanyl)-2',3',4,4',4'a,5,6',7',8',8'abeta-decahydro-4'alpha-hydroxy-2'alpha-methyldispiro[furan-3(2H),1'(5'H)-naphthalene-5',2''-oxirane]-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OCC12C(O)CC(C)C3(C(=O)OC(C4=COC=C4)C3)C2CCCC51OC5)C

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isomeric SMILES

CC(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]1(C[C@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O

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found in taxon

Teucrium maghrebinum

4 references

stated in

Neoclerodane diterpenoids from Teucrium maghrebinum

stated in

Neo-clerodane diterpenoids from Teucrium massiliense

stated in

Neo-clerodane diterpenoids from Teucrium massiliense

stated in

Neo-clerodane diterpenoids from Teucrium yemense

Identifiers

InChI

InChI=1S/C22H28O7/c1-13-8-18(24)22(12-27-14(2)23)17(4-3-6-20(22)11-28-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-18,24H,3-4,6,8-9,11-12H2,1-2H3/t13-,16-,17-,18-,20+,21-,22+/m1/s1

0 references

InChIKey

LOZYVHYKXUKJDA-ISHORCFRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105155003)

12-epi-Teucjaponin A

Statements

Identifiers

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