(Q110176558)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

528.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀O₈

0 references

canonical SMILES

O=C1C(=CC2C1(O)C(O)C3(OC3C4C5OC6(OC5(C(=C)C)CC(C)C24O6)C=CC=CCCCCC)CO)C

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isomeric SMILES

C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](C=C/C=C/CCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2

0 references

found in taxon

Synaptolepis kirkii

1 reference

stated in

Irritant principles of the mezereon family (Thymelaeaceae), V. New skin irritants and tumor promoters of the daphnane and 1 alpha-alkyldaphnane type from Synaptolepis kirkii and Synaptolepis retusa

Synaptolepis retusa

1 reference

stated in

Irritant principles of the mezereon family (Thymelaeaceae), V. New skin irritants and tumor promoters of the daphnane and 1 alpha-alkyldaphnane type from Synaptolepis kirkii and Synaptolepis retusa

Identifiers

InChI

InChI=1S/C30H40O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h10-14,19-21,23-25,31,33-34H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12?/t19-,20-,21-,23-,24+,25-,26-,27+,28-,29-,30+/m1/s1

0 references

InChIKey

CZCPFHFUOUQBDL-GCKUXVDESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CZCPFHFUOUQBDL-GCKUXVDESA-N

(Q110176558)

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

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Identifiers

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