Chem
J-GLOBAL ID：200907037071146023   Nikkaji number：J10.977K

Serpentine

セルペンチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H21N[N+]O3
Molecular formula furigana： C21-H21-N2-O3
Molecular weight： 349.409
InChI： InChI=1S/C21H20N2O3/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/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1/t12-,15-,16+/m0/s1
InChI key： WYTGDNHDOZPMIW-VBNZEHGJSA-O
SMILES： COC(=O)C1=CO[C@@H](C)[C@H]2C[n+]3ccc4c5ccccc5[nH]c4c3C[C@H]12
Systematic name  (5)：
  • 3,4,5,6,16,17-ヘキサデヒドロ-16-(メトキシカルボニル)-19α-メチル-18-オキサヨヒンバン-4-イウム
  • 3,5,6,16,17-ペンタデヒドロ-16-(メトキシカルボニル)-19α-メチル-18-オキサヨヒンバン-4-イウム
  • (7aR)-8α-メチル-7,7aβ,8,11aα,12,13-ヘキサヒドロ-6a-アゾニア-9-オキサ-13-アザ-9H-インデノ[2,1-a]アントラセン-11-カルボン酸メチル
  • (15R,16S,20S)-19-(メトキシカルボニル)-16-メチル-17-オキサ-3,13λ5-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-1(13),2(10),4(9),5,7,11,18-ヘプタエン-13-イリウム
  • (15R,16S,20S)-19-(methoxycarbonyl)-16-methyl-17-oxa-3,13λ5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,18-heptaen-13-ylium
Other name (11)：
  • セルペンチン
  • Serpentine
  • 3,5,6,16,17-Pentadehydro-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban-4-ium
  • (7aR)-8α-Methyl-7,7aβ,8,11aα,12,13-hexahydro-6a-azonia-9-oxa-13-aza-9H-indeno[2,1-a]anthracene-11-carboxylic acid methyl ester
  • (+)-セルペンチン
Show all
CAS registry number： 18786-24-8
Regulation number (2)：
  • EINECS2425705
  • (9)-2286
KEGG COMPOUND： C09241
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