P 57

CAS Registry Number®

384329-61-7

CAS Name

P 57

Molecular Formula

C47H74O15

Molecular Mass

879.08

Cite this Page

P 57.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=384329-61-7 (retrieved 2024-11-22) (CAS RN: 384329-61-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C47H74O15/c1-12-23(2)43(51)60-35-20-32-31(47(52)18-16-30(24(3)48)46(35,47)8)14-13-28-19-29(15-17-45(28,32)7)59-36-21-33(53-9)40(26(5)56-36)61-37-22-34(54-10)41(27(6)57-37)62-44-39(50)42(55-11)38(49)25(4)58-44/h12-13,25-27,29-42,44,49-50,52H,14-22H2,1-11H3/b23-12+/t25-,26-,27-,29+,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41-,42+,44+,45+,46+,47+/m1/s1

InChIKey

InChIKey=CBMQKMMZBOSHHP-VXXSQTRDSA-N

SMILES

C[C@@]12[C@@](O)([C@]3([C@](C[C@H]1OC(/C(=C/C)/C)=O)([C@]4(C)C(=CC3)C[C@@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7[C@H](O)[C@@H](OC)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC4)[H])[H])CC[C@@H]2C(C)=O

Canonical SMILES

O=C(OC1CC2C(CC=C3CC(OC4OC(C)C(OC5OC(C)C(OC6OC(C)C(O)C(OC)C6O)C(OC)C5)C(OC)C4)CCC32C)C7(O)CCC(C(=O)C)C17C)C(=CC)C

Other Names for this Substance

  • Pregn-5-en-20-one, 3-[(O-6-deoxy-3-O-methyl-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, (3β,12β,14β)-
  • Pregn-5-en-20-one, 3-[(O-6-deoxy-3-O-methyl-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-, (3β,12β,14β)-
  • (3β,12β,14β)-3-[(O-6-Deoxy-3-O-methyl-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]pregn-5-en-20-one
  • P 57AS3
  • P 57

Deleted or Replaced CAS Registry Numbers

339334-40-6, 879083-15-5

CAS INSIGHTSTM
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