Chem
J-GLOBAL ID:200907098337364560
Nikkaji number:J10.581C
Voacamine
ボアカミン
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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:
C43 H52 N4 O5
Molecular formula furigana:
C43-H52-N4-O5
Molecular weight:
704.912
InChI:
InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24+,28+,31-,35+,37+,40+,43-/m1/s1
InChI key:
VCMIRXRRQJNZJT-ZQIFJCHWSA-N
SMILES:
CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7[C@@H]([C@H](Cc8c6[nH]c6ccccc86)N(C)C/C/7=C/C)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC
Systematic name (3):
12-メトキシ-13-[(3α)-17-メトキシ-17-オキソボバサン-3-イル]イボガミン-18-カルボン酸メチル
メチル (1S,15R,17S,18S)-17-エチル-6-[(1S,12R,14R,15E,18S)-15-エチリデン-18-(メトキシカルボニル)-17-メチル-10,17-ジアザテトラシクロ[12.3.1.03,11 .04,9 ]オクタデカ-3(11),4,6,8-テトラエン-12-イル]-7-メトキシ-3,13-ジアザペンタシクロ[13.3.1.02,10 .04,9 .013,18 ]ノナデカ-2(10),4,6,8-テトラエン-1-カルボキシラート
methyl (1S,15R,17S,18S)-17-ethyl-6-[(1S,12R,14R,15E,18S)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11 .04,9 ]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10 .04,9 .013,18 ]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Other name (5):
ボアカミン
ボアカンギニン
Voacamine
Voacanginine
12-Methoxy-13-[(3α)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylic acid methyl ester
CAS registry number:
3371-85-5
Regulation number (1):
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