(Q105345472)

English

[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18S)-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl hexadecanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,7-Dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl)methyl hexadecanoate

1 reference

based on heuristic

inferred from SMILES

mass

798.564584076 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl hexadecanoate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₄₈H₇₈O₉

0 references

canonical SMILES

O=C(OCC12OC2C3C4OC5(OC4(C(=C)C)CC(C)C3(O5)C6C=C(C(=O)C6(O)C1O)C)CCCCCCCCCCC)CCCCCCCCCCCCCCC

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isomeric SMILES

C=C(C)[C@]12C[C@H](C)[C@@]34O[C@](CCCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2

0 references

found in taxon

Neoboutonia mannii

1 reference

stated in

Diterpenoids from Neoboutonia glabrescens (Euphorbiaceae).

Identifiers

InChI

InChI=1S/C48H78O9/c1-7-9-11-13-15-17-18-19-20-21-23-25-27-29-38(49)53-33-45-42(54-45)39-41-44(34(3)4)32-36(6)48(39,37-31-35(5)40(50)47(37,52)43(45)51)57-46(55-41,56-44)30-28-26-24-22-16-14-12-10-8-2/h31,36-37,39,41-43,51-52H,3,7-30,32-33H2,1-2,4-6H3/t36-,37+,39+,41+,42-,43+,44+,45-,46+,47+,48-/m0/s1

0 references

InChIKey

YAOIPFIERXDZGV-RYZNWIEGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAOIPFIERXDZGV-RYZNWIEGSA-N

(Q105345472)

[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18S)-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-undecyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl hexadecanoate

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Identifiers

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