Chemical identity

Eldecalcitol Impurity 1

CAS 201854-22-0 · C30H50O5

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13858
PubChem CID59910174
NameEldecalcitol Impurity 1
CAS RN201854-22-0
Molecular formulaC30H50O5
Molecular weight490.7 g/mol
IUPAC name(1R,2R,3R)-5-((Z)-2-((1R,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-2-(3-hydroxypropoxy)-4-methylcyclohex-4-ene-1,3-diol
InChIKeyKXLYTOWHSZWHSQ-UWERNNIZSA-N

02Structure identifiers

2D structurePubChem CID 59910174
2D structure: Eldecalcitol Impurity 1, CAS 201854-22-0
Structure of Eldecalcitol Impurity 1 (CAS 201854-22-0). LazyChem record. Source identity: PubChem CID 59910174. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC30H50O5
InChIKeyKXLYTOWHSZWHSQ-UWERNNIZSA-N
Ring count3
Defined stereocentres6
Unassigned stereocentres1
SMILESCC1=C(C[C@H]([C@H]([C@@H]1O)OCCCO)O)/C=C\C2=CCC[C@]3(C2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C
InChIInChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h10-12,20,24-28,31-34H,6-9,13-19H2,1-5H3/b12-11-/t20-,24-,25?,26-,27-,28-,30-/m1/s1

03Stereochemistry

The published structure contains 6 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

2 records

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.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 201854-22-0 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 201854-22-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Eldecalcitol

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources