(Q105159563)

English

(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,5R)-1,5-dihydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

15-(1,5-Dihydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(CO)CCC(O)C(=C)C

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isomeric SMILES

C=C(C)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C

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found in taxon

Aglaia rubiginosa

1 reference

stated in

Phytochemical investigation of Aglaia rubiginosa

Identifiers

InChI

InChI=1S/C30H48O3/c1-19(2)22(32)8-7-20(17-31)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h20-24,31-32H,1,7-18H2,2-6H3/t20-,21+,22+,23-,24-,27+,28-,29+,30-/m0/s1

0 references

InChIKey

LYTMBHFKJPPILC-YMTBBSQFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105159563)

(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,5R)-1,5-dihydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

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Identifiers

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