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Substance Name: Ruscorectal (combination)
RN: 50933-59-0
InChIKey: ULTJXMKBDQFMHO-RNKMQGRWSA-N

Note

  • Combination of ruscogenin & neoruscogenin.

Molecular Formula

  • C27-H42-O4.C27-H40-O4

Molecular Weight

  • 859.2338
 
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Names and Synonyms

Name of Substance

  • Ruscorectal (combination)

Systematic Name

  • Spirosta-5,25(27)-diene-1,3-diol, (1beta,3beta)-, mixt. with (1beta,3beta,25R)-spirost-5-ene-1,3-diol

Registry Numbers

CAS Registry Number

  • 50933-59-0

System Generated Number

  • 0050933590

Molecular Formulas

Molecular Formula

  • C27-H42-O4.C27-H40-O4

Molecular Formula Fragments

  • C27-H40-O4
  • C27-H42-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H42O4.C27H40O4/c2*1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3;5,16,18-24,28-29H,1,6-14H2,2-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-;16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m10/s1

InChIKey

ULTJXMKBDQFMHO-RNKMQGRWSA-N

Smiles

C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C.C[C@H]7[C@H]8[C@H](C[C@H]9[C@@H]%10CC=C%11C[C@@H](O)C[C@@H](O)[C@]%11(C)[C@H]%10CC[C@]89C)O[C@]7%12CCC(=C)CO%12