Chem
J-GLOBAL ID:200907061880200215
Nikkaji number:J2.258.655F
(25R)-26-(4-Methylpiperazino)furosta-5,20(22)-diene-3β-ol
(25R)-26-(4-メチルピペラジノ)フロスタ-5,20(22)-ジエン-3β-オール
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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:
C32 H52 N2 O2
Molecular formula furigana:
C32-H52-N2-O2
Molecular weight:
496.780
InChI:
InChI=1S/C32H52N2O2/c1-21(20-34-16-14-33(5)15-17-34)6-9-28-22(2)30-29(36-28)19-27-25-8-7-23-18-24(35)10-12-31(23,3)26(25)11-13-32(27,30)4/h7,21,24-27,29-30,35H,6,8-20H2,1-5H3/t21-,24+,25-,26+,27+,29+,30+,31+,32+/m1/s1
InChI key:
FADLZIGJDKLXBA-BCCBPNDLSA-N
SMILES:
C[C@H](CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O1)CN1CCN(C)CC1
Systematic name (3):
(25R)-26-(4-メチルピペラジノ)フロスタ-5,20(22)-ジエン-3β-オール
(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-トリメチル-6-[(3R)-3-メチル-4-(4-メチルピペラジン-1-イル)ブチル]-5-オキサペンタシクロ[10.8.0.02,9 .04,8 .013,18 ]イコサ-6,18-ジエン-16-オール
(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-(4-methylpiperazin-1-yl)butyl]-5-oxapentacyclo[10.8.0.02,9 .04,8 .013,18 ]icosa-6,18-dien-16-ol
Other name (1):
(25R)-26-(4-Methylpiperazino)furosta-5,20(22)-diene-3β-ol
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