Идентичност

Patchouli alcohol

Не е посочено · C15H26O

01Идентичност

Lazychem ID	LC-79321
CAS RN	Не е посочено
PubChem CID	10955174
Molecular formula	C15H26O
Molecular weight	222.37 g/mol
IUPAC name	(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol
InChIKey	GGHMUJBZYLPWFD-CUZKYEQNSA-N

02Структура и стереохимия

Two-dimensional chemical structure of Patchouli alcohol — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O
InChI	Не е посочено

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.