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Reference substances

Reference substances

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General information

Inventory

EC number:
229-861-2
EC name:
[3aR-(3aα,5aβ,9aα,9bβ)]-dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan
CAS number:
6790-58-5

No inventory information available

Reference substance information

IUPAC name:
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan
Synonyms
Names:
Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-
Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-, [3aR-(3a?,5aß,9a?,9bß)]-
Identifier:
CAS number
6790-58-5
Identifier:
IUPAC name
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan
Identifier:
IUPAC name
3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan
Identifier:
IUPAC name
[3aR-(3aα,5aβ,9aα,9bβ)]-dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan
Identifier:
other: InChl
InChI=1/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
Identifier:
other: SMILES notation
O(C(C(C(C(C(CC1)(C)C)C2)(C1)C)C3)(C2)C)C3
Identifier:
other: SMILES notation
CC1(C)CCCC2(C)C1CCC3(C)OCCC23
Identifier:
other: SMILES notation
CC1(C)CCC[C@@]2(C)[C@@]1([H])CC[C@]3(C)[C@]2([H])CCO3
Identifier:
other: SMILES notation
CC1(CCCC2(C1CCC3(C2CCO3)C)C)C
Identifier:
other: InChl
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1
(-)-(3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-b]furan

CAS information

CAS number:
6790-58-5

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
3738-00-9

Molecular and structural information

Molecular formula:
C16H28O
Molecular weight:
236.4
SMILES notation:
O(C(C(C(C(C(CC1)(C)C)C2)(C1)C)C3)(C2)C)C3
InChl:
InChI=1/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
Structural formula:
Chemical structure