Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Rubijervine
RN: 79-58-3
UNII: R55TZ5WMAQ
InChIKey: AANKDJLVHZQCFG-KVHNBARJSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C27-H43-N-O2

Molecular Weight

  • 413.6417
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Rubijervine

Synonyms

  • 5-21-05-00208 (Beilstein Handbook Reference)
  • BRN 0095345
  • delta(sup 5)-3-beta,12-alpha-Dihydroxysolanidene
  • NSC 76026
  • Rubigervine
  • Rubijervin
  • Rubijervine
  • Solanid-5-en-3beta,12alpha-diol
  • UNII-R55TZ5WMAQ

Systematic Names

  • Solanid-5-ene-3,12-diol, (3-beta,12-alpha)-
  • Solanid-5-ene-3-beta,12-alpha-diol
  • Solanid-5-ene-3beta,12alpha-diol (8CI)

Registry Numbers

CAS Registry Number

  • 79-58-3

FDA UNII

  • R55TZ5WMAQ

System Generated Number

  • 0000079583

Structure Descriptors

InChI

1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1

InChIKey

AANKDJLVHZQCFG-KVHNBARJSA-N

Smiles

C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)N2C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 242 deg C   EXP
log P (octanol-water) 6.180 (none)   EST
Atmospheric OH Rate Constant 2.09E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.