(1α,6β,14α,16β)-19,20-Didehydro-1,6,14,16-tetramethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]aconitane-7,8-diol
CAS Registry Number®
102503-60-6
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CAS Name
(1α,6β,14α,16β)-19,20-Didehydro-1,6,14,16-tetramethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]aconitane-7,8-diolMolecular Formula
C35H44N2O10Molecular Mass
652.73Cite this Page
(1α,6β,14α,16β)-19,20-Didehydro-1,6,14,16-tetramethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]aconitane-7,8-diol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=102503-60-6 (retrieved ) (CAS RN: 102503-60-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17-,19+,20+,22-,23-,25+,26-,27+,28-,31-,32-,33+,34-,35+/m0/s1
InChIKey
InChIKey=ZXTOPWJFZABXSX-JVBPJWSTSA-N
SMILES
O(C)[C@@H]1[C@@]23[C@]4([C@](COC(=O)C5=C(C=CC=C5)N6C(=O)C[C@H](C)C6=O)(C=N[C@@]2([C@](O)([C@H]4OC)[C@]7(O)[C@@]8([C@]3(C[C@@]([C@@H]8OC)([C@@H](OC)C7)[H])[H])[H])[H])CC1)[H]
Canonical SMILES
O=C(OCC12C=NC3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC)C=7C=CC=CC7N8C(=O)CC(C8=O)C
Other Names for this Substance
- Aconitane-7,8-diol, 19,20-didehydro-1,6,14,16-tetramethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]-, (1α,6β,14α,16β)-
- Aconitane-7,8-diol, 19,20-didehydro-1,6,14,16-tetramethoxy-4-[[[2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-, [1α,4(S),6β,14α,16β]-
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-7,8-diol deriv.
- (1α,6β,14α,16β)-19,20-Didehydro-1,6,14,16-tetramethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]aconitane-7,8-diol
- Anhweidelphinine
