Chem
J-GLOBAL ID:200907083896906766
Nikkaji number:J2.093.897H
(2aR)-2aβ-Methyl-7β-(2-hydroxyethyl)-5aα,7,6α-[(Z)-1-[2-(methoxymethoxy)ethoxy]-3-pentene-1,2,5-triyl]-1,2,2a,3,4,5,5a,6,7,8bβ-decahydrobenzo[cd]indole-1-carboxylic acid benzyl ester
ベンジル (1R,7R,8S,13R,17R)-8-(2-ヒドロキシエチル)-2-[2-(メトキシメトキシ)エトキシ]-13-メチル-11-アザペンタシクロ[8.6.1.01,7 .03,8 .013,17 ]ヘプタデカ-4,9-ジエン-11-カルボキシラート
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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:
C31 H41 NO6
Molecular formula furigana:
C31-H41-N-O6
Molecular weight:
523.669
InChI:
InChI=1S/C31H41NO6/c1-29-12-7-13-31-25-11-6-10-23(27(31)37-17-16-36-21-35-2)30(25,14-15-33)18-24(26(29)31)32(20-29)28(34)38-19-22-8-4-3-5-9-22/h3-6,8-10,18,23,25-27,33H,7,11-17,19-21H2,1-2H3/t23?,25-,26-,27?,29+,30+,31?/m1/s1
InChI key:
FMQGBGQLSNBSFG-UVJPODAMSA-N
SMILES:
COCOCCOC1C2C=CC[C@@H]3[C@@]2(CCO)C=C2[C@@H]4[C@](C)(CN2C(=O)OCc2ccccc2)CCC[C@@]134
Systematic name (3):
(2aR)-2aβ-メチル-7β-(2-ヒドロキシエチル)-5aα,7,6α-[(Z)-1-[2-(メトキシメトキシ)エトキシ]-3-ペンテン-1,2,5-トリイル]-1,2,2a,3,4,5,5a,6,7,8bβ-デカヒドロベンゾ[cd]インドール-1-カルボン酸ベンジル
ベンジル (1R,7R,8S,13R,17R)-8-(2-ヒドロキシエチル)-2-[2-(メトキシメトキシ)エトキシ]-13-メチル-11-アザペンタシクロ[8.6.1.01,7 .03,8 .013,17 ]ヘプタデカ-4,9-ジエン-11-カルボキシラート
benzyl (1R,7R,8S,13R,17R)-8-(2-hydroxyethyl)-2-[2-(methoxymethoxy)ethoxy]-13-methyl-11-azapentacyclo[8.6.1.01,7 .03,8 .013,17 ]heptadeca-4,9-diene-11-carboxylate
Other name (1):
(2aR)-2aβ-Methyl-7β-(2-hydroxyethyl)-5aα,7,6α-[(Z)-1-[2-(methoxymethoxy)ethoxy]-3-pentene-1,2,5-triyl]-1,2,2a,3,4,5,5a,6,7,8bβ-decahydrobenzo[cd]indole-1-carboxylic acid benzyl ester
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