(Q105010767)

English

[(1S,2S,5R,7R,8S,9S,10S,11R,15S)-7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

chemical compound

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type of chemical entity

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1 reference

[(1S,2S,5S,7R,8S,10S,11R,15R)-7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

434.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,5R,7S,8S,9S,10S,11R,15R)-7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

[(1S,2S,5R,7R,8S,9S,10S,11R,15R)-7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₄O₇

0 references

canonical SMILES

O=C(OC1C(=C)C2CCC3C45COC(O)(C(OC(=O)C)C5C(C)(C)CCC4O)C13C2)C

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isomeric SMILES

C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@@H]1OC(C)=O

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found in taxon

Isodon eriocalyx

1 reference

stated in

Diterpenoids from isodon eriocalyx

Identifiers

InChI

InChI=1S/C24H34O7/c1-12-15-6-7-16-22-11-29-24(28,23(16,10-15)19(12)30-13(2)25)20(31-14(3)26)18(22)21(4,5)9-8-17(22)27/h15-20,27-28H,1,6-11H2,2-5H3/t15-,16+,17+,18-,19-,20+,22-,23+,24-/m1/s1

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InChIKey

GLBRPJYMFLHADY-GOSVGWOTSA-N

0 references

1 reference

26 December 2021

1 reference

(Q105010767)

[(1S,2S,5R,7R,8S,9S,10S,11R,15S)-7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

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