Incarvillateine

CAS Registry Number®

129748-10-3

CAS Name

Incarvillateine

Molecular Formula

C42H58N2O8

Molecular Mass

718.92

Cite this Page

Incarvillateine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129748-10-3 (retrieved 2024-11-24) (CAS RN: 129748-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-218 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H58N2O8/c1-21-17-43(5)19-29-23(3)33(15-27(21)29)51-41(47)39-37(25-9-11-31(45)35(13-25)49-7)40(38(39)26-10-12-32(46)36(14-26)50-8)42(48)52-34-16-28-22(2)18-44(6)20-30(28)24(34)4/h9-14,21-24,27-30,33-34,37-40,45-46H,15-20H2,1-8H3/t21-,22-,23-,24-,27-,28-,29-,30-,33+,34+,37-,38-,39-,40-/m0/s1

InChIKey

InChIKey=VQKTZIKAARDZIA-FYBVMHBNSA-N

SMILES

C(O[C@@H]1C[C@@]2([C@]([C@@H]1C)(CN(C)C[C@@H]2C)[H])[H])(=O)[C@@H]3[C@@H]([C@@H](C(O[C@@H]4C[C@@]5([C@]([C@@H]4C)(CN(C)C[C@@H]5C)[H])[H])=O)[C@H]3C6=CC(OC)=C(O)C=C6)C7=CC(OC)=C(O)C=C7

Canonical SMILES

O=C(OC1CC2C(C)CN(C)CC2C1C)C3C(C4=CC=C(O)C(OC)=C4)C(C(=O)OC5CC6C(C)CN(C)CC6C5C)C3C7=CC=C(O)C(OC)=C7

Other Names for this Substance

  • 1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxy-3-methoxyphenyl)-, 1,3-bis[(4R,4aS,6R,7S,7aR)-octahydro-2,4,7-trimethyl-1H-cyclopenta[c]pyridin-6-yl] ester, (1α,2β,3β,4α)-
  • 1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxy-3-methoxyphenyl)-, bis(octahydro-2,4,7-trimethyl-1H-2-pyrindin-6-yl) ester, stereoisomer
  • 1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxy-3-methoxyphenyl)-, bis[(4R,4aS,6R,7S,7aR)-octahydro-2,4,7-trimethyl-1H-cyclopenta[c]pyridin-6-yl] ester, (1α,2α,3β,4β)-
  • 1H-2-Pyrindine, 1,3-cyclobutanedicarboxylic acid deriv.
  • Incarvillateine

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