Identiteit

Tenacissimoside A

Niet vermeld · C42H64O14

01Identiteit

Lazychem ID	LC-41190
CAS RN	Niet vermeld
PubChem CID	44561398
Molecular formula	C42H64O14
Molecular weight	792.9 g/mol
IUPAC name	[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate
InChIKey	OHDJGUWKOIBIKY-SGFNNURDSA-N

02Structuur en stereochemie

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

The parsed structure contains 7 rings, includes aliphatic carbon, has 19 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	19
Ring count	7
Secondary amines	0
Tertiary amines	0

SMILES	C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@@]24[C@@]5(O4)CC[C@H]([C@]5([C@@H]1OC(=O)C)C)C(=O)C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O)OC)O)OC)C
InChI	Niet vermeld

03Stereochemistry

The published structure contains 19 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres19Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 524,288Before 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.