(Q105194995)

English

(1S,2R,6R,7R,9R,11R,12R,14R,16S,17S)-16-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,17-dimethyl-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Withanolides

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mass

484.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

20-hydroxytubocapsanolide A

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₇

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C23OC3CC4C5CC6OC76C(O)C=CC(=O)C7(C)C5CCC42C

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isomeric SMILES

CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@@]23O[C@@H]2C[C@@H]2[C@H]4C[C@H]5O[C@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1

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found in taxon

Tubocapsicum anomalum

1 reference

stated in

Cytotoxic withanolides from Tubocapsicum anomalum

Identifiers

InChI

InChI=1S/C28H36O7/c1-13-10-20(33-23(31)14(13)2)26(5,32)28-22(35-28)12-17-15-11-21-27(34-21)19(30)7-6-18(29)25(27,4)16(15)8-9-24(17,28)3/h6-7,15-17,19-22,30,32H,8-12H2,1-5H3/t15-,16-,17+,19+,20-,21+,22+,24-,25-,26+,27+,28+/m0/s1

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InChIKey

ONOYEGAYNUISOH-VUJGYIOFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ONOYEGAYNUISOH-VUJGYIOFSA-N

(Q105194995)

(1S,2R,6R,7R,9R,11R,12R,14R,16S,17S)-16-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,17-dimethyl-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-3-one

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Identifiers

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