Bullatacin

CAS Registry Number®

123123-32-0
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CAS Name

Bullatacin

Molecular Formula

C37H66O7

Molecular Mass

622.92

Cite this Page

Bullatacin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=123123-32-0 (retrieved 2024-04-16) (CAS RN: 123123-32-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-78 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1

InChIKey

InChIKey=MBABCNBNDNGODA-LUVUIASKSA-N

SMILES

[C@H](CCCCCCCCCC[C@H](CC=1C(=O)O[C@@H](C)C1)O)(O)[C@@]2(O[C@](CC2)([C@@]3(O[C@@]([C@H](CCCCCCCCCC)O)(CC3)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(2R,13R)-2,13-dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-, (5S)-
  • 2(5H)-Furanone, 3-[2,13-dihydroxy-13-[octahydro-5′-(1-hydroxyundecyl)[2,2′-bifuran]-5-yl]tridecyl]-5-methyl-, [2R-[2α[2′R*,5′R*(S*)],5β[1(S*),2R*,13R*]]]-
  • (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
  • Bullatacin
  • Squamocin G

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Deleted or Replaced CAS Registry Numbers

121917-13-3, 160023-28-9

CAS INSIGHTSTM
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