CAS Registry Number®
63238-66-4
CAS Name
Benzoylhypaconine
Molecular Formula
C31H43NO9
Molecular Mass
573.67
Other Names and Identifiers
InChI
InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,28+,29-,30+,31-/m1/s1
InChIKey
InChIKey=MDFCJNFOINXVSU-ZEDVMUKVSA-N
SMILES
O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(C)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[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])CC1)[H]
Canonical SMILES
O=C(OC1C2C3CC1(O)C(OC)C(O)C2(O)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6)C=7C=CC=CC7
Other Names for this Substance
- Aconitane-8,13,14,15-tetrol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1α,6α,14α,15α,16β)-
- 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-8,13,14,15-tetrol deriv.
- Benzoylhypaconine
- 3-Deoxymesaconine 14-benzoate
- 14-O-Benzoylhypaconine
- Hypaconine 14-benzoate
- Benzoylhypacoitine
Deleted or Replaced CAS Registry Numbers
183452-15-5
