(Q115950621)

English

(1R,2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-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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instance of

type of chemical entity

0 references

1 reference

532.303618368 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-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

C₃₀H₄₄O₈

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canonical SMILES

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

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isomeric SMILES

C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@](CCCCCCCCC)(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

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found in taxon

Stellera chamaejasme

1 reference

stated in

Biflavanones, diterpenes, and coumarins from the roots of Stellera chamaejasme L.

Pimelea

1 reference

stated in

Letter: The isolation and structure of the toxin of Pimelea simplex responsible for St. George disease of cattle

Identifiers

InChI

InChI=1S/C30H44O8/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/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1

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InChIKey

JAQJQYMDHBSCKO-YAWJYSLYSA-N

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1 reference

2 January 2023

inferred from InChIKey

(Q115950621)

(1R,2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-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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