(Q105020507)

English

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

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

482.230453428 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@@]67[C@@H](O)C=CC(=O)[C@]57C)[C@@H]3CC[C@@H]42)C1

0 references

found in taxon

Acnistus arborescens

1 reference

stated in

Cytotoxic withaphysalins from the leaves of Acnistus arborescens

Identifiers

InChI

InChI=1S/C28H34O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h7-8,15-18,20-22,30H,5-6,9-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,25+,26-,27-,28+/m1/s1

0 references

InChIKey

GUTRJAVJYHGRQZ-KGLGQIOESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GUTRJAVJYHGRQZ-KGLGQIOESA-N

(Q105020507)

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

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)