(Q105138310)

English

(1S,2S,5S,6R,8S,9R,12S,13R,17S,18R,20R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-8-ethoxy-17-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicos-15-en-14-one

chemical compound

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instance of

type of chemical entity

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1 reference

6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-8-ethoxy-17-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicos-15-en-14-one

1 reference

based on heuristic

inferred from SMILES

mass

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₇

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C2(OC(OCC)C34CCC5C(CC6OC76C(O)C=CC(=O)C57C)C4CCC23)C

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isomeric SMILES

CCO[C@H]1O[C@@](C)([C@H]2CC(C)=C(C)C(=O)O2)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]132

0 references

found in taxon

Acnistus arborescens

1 reference

stated in

Cytotoxic withaphysalins from the leaves of Acnistus arborescens

Identifiers

InChI

InChI=1S/C30H40O7/c1-6-34-26-29-12-11-18-17(14-24-30(36-24)22(32)10-9-21(31)27(18,30)4)19(29)7-8-20(29)28(5,37-26)23-13-15(2)16(3)25(33)35-23/h9-10,17-20,22-24,26,32H,6-8,11-14H2,1-5H3/t17-,18+,19+,20-,22+,23-,24-,26+,27+,28-,29-,30-/m1/s1

0 references

InChIKey

KBKOFWYPSMINIY-ZZONCJOWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KBKOFWYPSMINIY-ZZONCJOWSA-N

(Q105138310)

(1S,2S,5S,6R,8S,9R,12S,13R,17S,18R,20R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-8-ethoxy-17-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicos-15-en-14-one

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