(Q105380854)

English

[(1R,2S,5S,7R,8S,9S,10S,11R,18R)-7-acetyloxy-9,18-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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Statements

instance of

type of chemical entity

0 references

subclass of

(7-Acetyloxy-9,18-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

[(1R,2S,5S,7R,9S,10S,11R,18R)-7-acetyloxy-9,18-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

[(1R,2S,5S,7R,8R,9S,10S,11R,18R)-7-acetyloxy-9,18-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

based on heuristic

inferred from InChI

[(1R,2S,5S,7S,8R,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

1 reference

1 reference

C₂₄H₃₄O₇

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canonical SMILES

O=C(OC1C(=C)C2CCC3C45COC(O)(C(OC(=O)C)C5C(C)(C)CCC4)C13C2O)C

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isomeric SMILES

C=C1[C@@H]2CC[C@@H]3[C@@]([C@@H]1OC(C)=O)([C@@H]2O)[C@]1(O)OC[C@]32CCCC(C)(C)[C@H]2[C@@H]1OC(C)=O

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found in taxon

Isodon rubescens

1 reference

stated in

Enmein type diterpenoids from Isodon japonica

Isodon ternifolius

1 reference

stated in

Enmein type diterpenoids from Isodon japonica

Isodon xerophilus

1 reference

stated in

Cytotoxic ent-kauranoids from the medicinal plant Isodon xerophilus

Identifiers

InChI

InChI=1S/C24H34O7/c1-12-15-7-8-16-22-10-6-9-21(4,5)17(22)20(31-14(3)26)24(28,29-11-22)23(16,18(15)27)19(12)30-13(2)25/h15-20,27-28H,1,6-11H2,2-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+/m0/s1

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InChIKey

ZPDVFDNDMSYUSR-SZACCEQBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZPDVFDNDMSYUSR-SZACCEQBSA-N

(Q105380854)

[(1R,2S,5S,7R,8S,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

Statements

Identifiers

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