Rotundifuran

CAS Registry Number®

50656-65-0
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CAS Name

Rotundifuran

Molecular Formula

C22H34O4

Molecular Mass

362.50

Cite this Page

Rotundifuran.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50656-65-0 (retrieved 2024-04-19) (CAS RN: 50656-65-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15-,18-,19+,21+,22-/m1/s1

InChIKey

InChIKey=QKHCQFQIJKXMOE-UGFIEOPBSA-N

SMILES

C[C@]12[C@@]([C@H](OC(C)=O)C[C@@H](C)[C@@]1(CCC=3C=COC3)O)(C(C)(C)CCC2)[H]

Canonical SMILES

O=C(OC1CC(C)C(O)(CCC2=COC=C2)C3(C)CCCC(C)(C)C13)C

Other Names for this Substance

  • 1,4-Naphthalenediol, 1-[2-(3-furanyl)ethyl]decahydro-2,5,5,8a-tetramethyl-, 4-acetate, (1R,2R,4R,4aS,8aS)-
  • 1,4-Naphthalenediol, 1-[2-(3-furanyl)ethyl]decahydro-2,5,5,8a-tetramethyl-, 4-acetate, [1R-(1α,2α,4β,4aα,8aβ)]-
  • Rotundifuran

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