Aconitane-3,13,14,15-tetrol, 1,6,8,16-tetramethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-

CAS Registry Number®

86500-43-8

CAS Name

Aconitane-3,13,14,15-tetrol, 1,6,8,16-tetramethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-

Molecular Formula

C32H45NO10

Molecular Mass

603.70

Cite this Page

Aconitane-3,13,14,15-tetrol, 1,6,8,16-tetramethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86500-43-8 (retrieved 2024-11-25) (CAS RN: 86500-43-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-144 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H45NO10/c1-33-14-29(15-38-2)18(34)12-19(39-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(42-6,25(35)27(30)41-5)21(24(31)33)22(40-4)23(29)31/h7-11,17-27,34-35,37H,12-15H2,1-6H3/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-/m1/s1

InChIKey

InChIKey=GPKLKIFNFCDMHE-BMTFSNIDSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(C)[C@@]2([C@]([C@@H]4OC)([C@]5(OC)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[C@H](O)C1)[H]

Canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)C(O)C2(OC)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6O)C=7C=CC=CC7

Other Names for this Substance

  • Aconitane-3,13,14,15-tetrol, 1,6,8,16-tetramethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,13,14,15-tetrol deriv.
  • Hokbusine A
  • 8-Methoxyl-14-benzoylhypaconine

CAS INSIGHTSTM
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