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Substance Name: Otobanone
RN: 34426-79-4
InChIKey: ZTOORMQTJNUZOQ-DINDLPBHSA-N

Note

  • Component of nutmeg (Myristica simarum A.DC.).

Molecular Formula

  • C20-H18-O5

Molecular Weight

  • 338.3572
 
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Names and Synonyms

Name of Substance

  • Otobanone

Synonym

  • 1-Oxo-otobain

Systematic Name

  • Naphtho(1,2-d)-1,3-dioxol-6(7H)-one, 9-(1,3-benzodioxol-5-yl)-8,9-dihydro-7,8-dimethyl-, (7R-(7alpha,8beta,9alpha))-

Registry Numbers

CAS Registry Number

  • 34426-79-4

System Generated Number

  • 0034426794

Structure Descriptors

InChI

1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11-,17-/m0/s1

InChIKey

ZTOORMQTJNUZOQ-DINDLPBHSA-N

Smiles

C[C@H]1[C@@H](C(=O)c2ccc3c(c2[C@@H]1c4ccc5c(c4)OCO5)OCO3)C