Crenarchaeol

CAS Registry Number®

487010-21-9

CAS Name

Crenarchaeol

Molecular Formula

C86H162O6

Molecular Mass

1292.20

Cite this Page

Crenarchaeol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=487010-21-9 (retrieved 2024-11-23) (CAS RN: 487010-21-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C86H162O6/c1-65-20-12-27-72(8)79-41-38-76(57-79)31-17-25-70(6)48-54-91-84(61-87)63-89-52-46-68(4)23-15-30-75-37-43-81(56-75)74(10)29-14-22-67(3)45-51-86(11)50-19-34-83(60-86)82-44-40-78(59-82)33-16-24-69(5)47-53-90-64-85(62-88)92-55-49-71(7)26-18-32-77-39-42-80(58-77)73(9)28-13-21-66(2)36-35-65/h65-85,87-88H,12-64H2,1-11H3/t65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85+,86-/m0/s1

InChIKey

InChIKey=YKCHATVPPNPTIS-LLQNEOTDSA-N

SMILES

C[C@@]12C[C@@]([C@@]3(C[C@](CC3)(CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@@]4(C[C@](CC4)([C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)[C@@]5(C[C@@](CCC[C@@H](C)CCO[C@H](CO)COCC[C@H](C)CCC[C@@]6(C[C@@]([C@H](C)CCC[C@H](C)CC1)(CC6)[H])[H])(CC5)[H])[H])[H])[H])[H])[H])(CCC2)[H]

Canonical SMILES

OCC1OCCC(C)CCCC2CCC(C2)C(C)CCCC(C)CCC(C)CCCC(C)C3CCC(CCCC(C)CCOC(CO)COCCC(C)CCCC4CCC(C4)C5CCCC(C)(CCC(C)CCCC(C)C6CCC(CCCC(C)CCOC1)C6)C5)C3

Other Names for this Substance

  • 12,15,48,51-Tetraoxahexacyclo[67.3.1.12,5.122,25.138,41.158,61]heptaheptacontane-14,49-dimethanol, 9,18,26,30,33,37,45,54,62,66,69-undecamethyl-, (1S,2S,5S,9R,14R,18R,22S,25S,26R,30S,33S,37R,38S,41S,45R,49R,54R,58S,61S,62R,66S,69R)-
  • (1S,2S,5S,9R,13R,18R,22S,25S,26R,30S,33S,37R,38S,41S,45R,49R,54R,58S,61S,62R,66S,69R)-9,18,26,30,33,37,45,54,62,66,69-Undecamethyl-12,15,48,51-tetraoxahexacyclo[67.3.1.12,5.122,25.138,41.158,61]heptaheptacontane-13,49-dimethanol
  • Crenarchaeol

CAS INSIGHTSTM
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