Bullatacinone

CAS Registry Number®

123012-00-0
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CAS Name

Bullatacinone

Molecular Formula

C37H66O7

Molecular Mass

622.92

Cite this Page

Bullatacinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123012-00-0 (retrieved 2024-09-19) (CAS RN: 123012-00-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1

InChIKey

InChIKey=KGGVWMAPBXIMEM-ZRTAFWODSA-N

SMILES

[C@H](CCCCCCCCCC[C@@H]1C[C@@H](CC(C)=O)C(=O)O1)(O)[C@@]2(O[C@](CC2)([C@@]3(O[C@@]([C@H](CCCCCCCCCC)O)(CC3)[H])[H])[H])[H]

Canonical SMILES

O=C(C)CC1C(=O)OC(CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C1

Other Names for this Substance

  • 2(3H)-Furanone, dihydro-5-[(11R)-11-hydroxy-11-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-, (3S,5R)-
  • 2(3H)-Furanone, dihydro-5-[11-hydroxy-11-[octahydro-5′-(1-hydroxyundecyl)[2,2′-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-, [2R-[2α[2′R*,5′R*(S*)],5β[R*(3S*,5R*)]]]-
  • (3S,5R)-Dihydro-5-[(11R)-11-hydroxy-11-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-2(3H)-furanone
  • Bullatacinone
  • trans-Bullatacinone

Deleted or Replaced CAS Registry Numbers

135214-26-5