Methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate | CAS No. 483-04-5

Methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate

Basic Information

CAS Number

483-04-5

Molecular Formula

C21H24N2O3

Molecular Weight

352.43 g/mol

AD

Basic Physical Properties

Physical State

Cryst.

Melting Point

~258 °C (dec.)

Boiling Point

486.04°C (rough estimate)

Solubility

N/A

Refractive Index

1.6500 (estimate)

Specific Rotation

D20 -60° (c = 0.5 in chloroform); D20 -45° (c = 0.5 in pyridine); D20 -39° (c = 0.25 in methanol)

CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45

InChI

InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1

InChIKey

GRTOGORTSDXSFK-XJTZBENFSA-N

LogP

3.1788000000000016

Topological Polar Surface Area

54.56 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

606

Safety Information

View Safety Information

Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

2-8℃

Synonyms & References

English

  • KBioSS_001255
  • Rauvasan
  • (4S,4aR,13bS,14aS)-methyl 4-methyl-
  • CAS-6474-90-4
  • AC-20175
  • NS00009801
  • Prestwick3_000592
  • CAS-4373-34-6
  • NCGC00016647-06
  • (19.ALPHA.)-16,17-DIDEHYDRO-19-METHYLOXAYOHIMBAN-16-CARBOXYLIC ACID METHYL ESTER
  • BRN 0097268
  • RAUBASINE [WHO-DD]
  • methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
  • Q412957
  • Sarpan
  • GRTOGORTSDXSFK-XJTZBENFSA-N
  • AKOS015895125
  • KBio2_001255
  • RAUBASINE [MART.]
  • Isoarteril
  • BRD-K83028735-001-01-6
  • EN300-7385816
  • .delta.-Yohimbine
  • 483-04-5
  • NSC 72133
  • Ajmalicine
  • MFCD00042748
  • Ajmalicin
  • methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
  • BSPBio_000464
  • BPBio1_000512

MDL Number

MFCD00042748

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