Prosapogenin A

CAS Registry Number®

19057-67-1
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CAS Name

Prosapogenin A

Molecular Formula

C39H62O12

Molecular Mass

722.90

Cite this Page

Prosapogenin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19057-67-1 (retrieved 2024-05-18) (CAS RN: 19057-67-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1

InChIKey

InChIKey=HDXIQHTUNGFJIC-FOAHKCLGSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H])[H])(O[C@@]8([C@H]3C)CC[C@@H](C)CO8)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65)C3(C)CC2)C(OC8OC(C)C(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • Spirost-5-ene, 3β-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-, (25R)-
  • Spirostan, β-D-glucopyranoside deriv.
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], β-D-glucopyranoside deriv.
  • (3β,25R)-Spirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

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Deleted or Replaced CAS Registry Numbers

55916-49-9, 65607-35-4, 2896165-64-1

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