Squamocin

CAS Registry Number®

120298-30-8
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CAS Name

Squamocin

Molecular Formula

C37H66O7

Molecular Mass

622.92

Cite this Page

Squamocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120298-30-8 (retrieved 2024-05-20) (CAS RN: 120298-30-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    48.5-49 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1

InChIKey

InChIKey=DAEFUOXKPZLQMM-AUDZWCKFSA-N

SMILES

[C@@H](CCC[C@H](CCCCCC)O)(O)[C@@]1(O[C@](CC1)([C@@]2(O[C@@]([C@@H](CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O)(CC2)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCC(O)CCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S,5S)-1,5-dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-, (5S)-
  • 2(5H)-Furanone, 3-[13-[5′-(1,5-dihydroxyundecyl)octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-, [2R-[2α[2′R*,5′R*(1S*,5S*)],5β[R*(S*)]]]-
  • (5S)-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S,5S)-1,5-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone
  • Squamocin
  • Annonin I

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Deleted or Replaced CAS Registry Numbers

129214-51-3

CAS INSIGHTSTM
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