Chemical identity

(3S)-beta-Cryptoxanthin

CAS 1200446-88-3 · C40H56O

01Identity

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

Lazychem IDLC-00329
PubChem CID44554791
Name(3S)-beta-Cryptoxanthin
CAS RN1200446-88-3
Molecular formulaC40H56O
Molecular weight552.89 g/mol
IUPAC name(S)-3,5,5-Trimethyl-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)cyclohex-3-en-1-ol
InChIKeyDMASLKHVQRHNES-GMKWGACXSA-N

02Structure identifiers

2D structurePubChem CID 44554791
Two-dimensional chemical structure of (3S)-beta-Cryptoxanthin, CAS 1200446-88-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@@H](CC2(C)C)O)C)/C)/C
InChINot listed
Formula from structureC40H56O
Molecular weight from structure552.89 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 / RCSNO EXACT MATCH FOUNDCAS 1200446-88-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1200446-88-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Caricaxanthin

View associated product family

Other names

  • (3S)-beta-Cryptoxanthin
  • 1200446-88-3
  • Cryptoxanthin, (S)-
  • ent-beta-Cryptoxanthin
  • UNII-7IJP7J5923
  • 7IJP7J5923
  • beta,beta-Caroten-3-ol, (3S)-
  • (1S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
  • (3S)-?-Cryptoxanthin
  • -cryptoxanthin
  • MFCD09763658
  • (3S)-beta,beta-Caroten-3-ol

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