Sipholenol a

CAS
78518-73-7
Catalog Number
ACM78518737
Category
Other Products
Molecular Weight
476.731480 [g/mol]
Molecular Formula
C30H52O4

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Specification

Synonyms
CTK2H8775, 78518-73-7, (1R,4R,7R,10S,11R)-11-[2-[(1R,3aR,5R,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-1,5,5,10-tetramethyl-6-oxabicyclo[5.4.0]undecane-4,10-diol
IUPAC Name
(3R,5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5R,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepine-3,7-diol
Canonical SMILES
CC1=CCC2C(CCC2(C)O)C(C1CCC3C4(CCC(C(OC4CCC3(C)O)(C)C)O)C)(C)C
InChI Key
LVWWPNAIMBYRKG-RGITXCIPSA-N
Boiling Point
572.3ºC at 760 mmHg
Flash Point
299.9ºC
Density
1.014g/cm³
Exact Mass
476.38700
H-Bond Acceptor
4
H-Bond Donor
3
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