(2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-22-(phosphonooxy)cholest-7-en-6-one

CAS Registry Number®

86577-97-1

CAS Name

(2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-22-(phosphonooxy)cholest-7-en-6-one

Molecular Formula

C27H45O10P

Molecular Mass

560.61

Cite this Page

(2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-22-(phosphonooxy)cholest-7-en-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86577-97-1 (retrieved 2024-11-26) (CAS RN: 86577-97-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H45O10P/c1-23(2,31)9-8-22(37-38(34,35)36)26(5,32)21-7-11-27(33)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-33H,6-11,13-14H2,1-5H3,(H2,34,35,36)/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

InChIKey

InChIKey=VQMWDPXOYFYYKP-YPVLXUMRSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](CCC(C)(C)O)OP(=O)(O)O)(C)O)(CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(OP(=O)(O)O)CCC(O)(C)C)C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Cholest-7-en-6-one, 2,3,14,20,25-pentahydroxy-22-(phosphonooxy)-, (2β,3β,5β,22R)-
  • (2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-22-(phosphonooxy)cholest-7-en-6-one
  • 20-Hydroxyecdysone 22-phosphate

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