Caldarchaeol

CAS Registry Number®

99529-31-4

CAS Name

Caldarchaeol

Molecular Formula

C86H172O6

Molecular Mass

1302.28

Cite this Page

Caldarchaeol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99529-31-4 (retrieved 2024-11-25) (CAS RN: 99529-31-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+/m0/s1

InChIKey

InChIKey=VMHUDYKDOMRJOK-QUYWEVSVSA-N

SMILES

C(O)[C@H]1OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC1

Canonical SMILES

OCC1OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC1)CO

Other Names for this Substance

  • 1,4,37,40-Tetraoxacyclodoheptacontane-2,38-dimethanol, 7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-, (2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-
  • 1,4,37,40-Tetraoxacyclodoheptacontane-2,38-dimethanol, 7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-, stereoisomer
  • (2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-Hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontane-2,38-dimethanol
  • Caldarchaeol

CAS INSIGHTSTM
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