(Q111241980)

English

(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

472.282489 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₀O₆

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canonical SMILES

O=C1C=CCC2(O)C3OC3C4C(CCC5(C)C(CCC45)C(C)C6OC(O)C7(OC7(C)C6)C)C12C

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isomeric SMILES

C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Exodeconus maritima

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stated in

16-Hydroxylated Withanolides from Exodeconus maritimus

Identifiers

InChI

InChI=1S/C28H40O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-23,30-31H,8-13H2,1-5H3/t14-,15+,16-,17-,18+,20-,21-,22-,23+,24+,25-,26-,27+,28-/m0/s1

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InChIKey

WYDFSSCXUGNICP-PPYNTZKFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WYDFSSCXUGNICP-PPYNTZKFSA-N

1 reference

(Q111241980)

(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

Statements

Identifiers

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