(Q105270461)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

[(5R,8S,9R,10S,12R,15R)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

(9,10,15-Trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate

1 reference

1 reference

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₇

0 references

canonical SMILES

O=C(OCC1(C)CCC(O)C23COC(O)(C(O)C12)C45C(=O)C(=C)C(CCC43)C5)C

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isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2O

0 references

found in taxon

Isodon xerophilus

2 references

stated in

Cytotoxic 7,20-epoxy ent-kauranoids from Isodon xerophilus

stated in

Cytotoxic 7,20-epoxy ent-kauranoids from Isodon xerophilus

Identifiers

InChI

InChI=1S/C22H30O7/c1-11-13-4-5-14-20-10-29-22(27,21(14,8-13)17(11)25)18(26)16(20)19(3,7-6-15(20)24)9-28-12(2)23/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14+,15-,16-,18+,19+,20-,21+,22-/m1/s1

0 references

InChIKey

UDOQTYDWKGQXFY-HGUSGTBHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UDOQTYDWKGQXFY-HGUSGTBHSA-N

(Q105270461)

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

Statements

Identifiers

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