(Q105167913)

English

(1S,2R,5R,8S,9R,10R,11S,15R,16S,18S)-9,10,15,18-tetrahydroxy-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

chemical compound

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instance of

type of chemical entity

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subclass of

9,10,15,18-Tetrahydroxy-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

1 reference

based on heuristic

inferred from SMILES

mass

450.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,5R,8S,9R,10R,11S,15R,16R,18S)-9,10,15,18-tetrahydroxy-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₇

0 references

canonical SMILES

O=C1C(=C)C2CCC3C1(C2O)C4(O)OC(OCCC(C)C)C53C(O)CCC(C)(C)C5C4O

0 references

isomeric SMILES

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

0 references

found in taxon

Isodon rubescens

1 reference

stated in

Cytotoxic ent-kauranoid derivatives from Isodon rubescens

Identifiers

InChI

InChI=1S/C25H38O7/c1-12(2)9-11-31-21-23-15-7-6-14-13(3)18(27)24(15,19(14)28)25(30,32-21)20(29)17(23)22(4,5)10-8-16(23)26/h12,14-17,19-21,26,28-30H,3,6-11H2,1-2,4-5H3/t14-,15-,16-,17+,19+,20-,21+,23-,24-,25+/m1/s1

0 references

InChIKey

MMNKLYKGGXUNID-NNISGCIISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMNKLYKGGXUNID-NNISGCIISA-N

(Q105167913)

(1S,2R,5R,8S,9R,10R,11S,15R,16S,18S)-9,10,15,18-tetrahydroxy-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

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