(Q105236434)

English

[(1R,2R,3R,6R,7R,15S,16R,19R)-16,19-dihydroxy-7,15-dimethylspiro[13,17-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadeca-10(14),11-diene-2,2'-oxirane]-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(16,19-Dihydroxy-7,15-dimethylspiro[13,17-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadeca-10(14),11-diene-2,2'-oxirane]-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,3R,6R,7R,15S,16S,19S)-16,19-dihydroxy-7,15-dimethylspiro[13,17-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadeca-10(14),11-diene-2,2'-oxirane]-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OC1CCC2C3(C)CCC=4C=COC4C3(C)C5(O)OCC2(C5O)C61OC6)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1CC[C@@H]2[C@@]3(C)CCc4ccoc4[C@@]3(C)[C@@]3(O)OC[C@]2([C@H]3O)[C@@]12CO2

0 references

found in taxon

Teucrium alyssifolium

1 reference

stated in

neo-Clerodane Diterpenoids fromTeucriumalyssifolium

Identifiers

InChI

InChI=1S/C22H28O7/c1-12(23)29-15-5-4-14-18(2)8-6-13-7-9-26-16(13)19(18,3)22(25)17(24)20(14,10-28-22)21(15)11-27-21/h7,9,14-15,17,24-25H,4-6,8,10-11H2,1-3H3/t14-,15-,17-,18-,19-,20+,21-,22+/m1/s1

0 references

InChIKey

RHJZNBYYAGFXDR-LFDPYUKSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHJZNBYYAGFXDR-LFDPYUKSSA-N

(Q105236434)

[(1R,2R,3R,6R,7R,15S,16R,19R)-16,19-dihydroxy-7,15-dimethylspiro[13,17-dioxapentacyclo[14.2.1.01,6.07,15.010,14]nonadeca-10(14),11-diene-2,2'-oxirane]-3-yl] acetate

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