Chem
J-GLOBAL ID：200907062009123348
Nikkaji number：J2.463.362D
(3R,6Z,9Z,16R,18S,21Z,30R,31S)-3,18-Diazatetracyclo[16.10.5.13,30.016,31]tetratriacontane-6,9,21-triene-5-ol
(4Z,14R,19Z,22Z,29R,30S)-1,16-ジアザテトラシクロ[27.3.1.112,16.014,30]テトラトリアコンタ-4,19,22-トリエン-18-オール
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
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
Molecular formula： C32H54N2O
Molecular formula furigana： C32-H54-N2-O
Molecular weight： 482.797
InChI：
InChI=1S/C32H54N2O/c35-31-19-15-11-7-2-1-6-10-14-18-29-25-33-21-16-12-8-4-3-5-9-13-17-28-23-30(32(29)20-22-33)26-34(24-28)27-31/h2,7-8,12,15,19,28-32,35H,1,3-6,9-11,13-14,16-18,20-27H2/b7-2-,12-8-,19-15-/t28?,29-,30?,31?,32-/m0/s1
InChI key：
LUTRTMDXRFXFQG-PDYSOLMASA-N
SMILES：
OC1CN2CC3C[C@@H](C2)[C@H]2CCN(C[C@@H]2CCCCC/C=C\C/C=C\1)CC/C=C\CCCCCC3
Systematic name (3)：
- (3R,6Z,9Z,16R,18S,21Z,30R,31S)-3,18-ジアザテトラシクロ[16.10.5.13,30.016,31]テトラトリアコンタン-6,9,21-トリエン-5-オール
- (4Z,14R,19Z,22Z,29R,30S)-1,16-ジアザテトラシクロ[27.3.1.112,16.014,30]テトラトリアコンタ-4,19,22-トリエン-18-オール
- (4Z,14R,19Z,22Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,19,22-trien-18-ol
- (3R,6Z,9Z,16R,18S,21Z,30R,31S)-3,18-Diazatetracyclo[16.10.5.13,30.016,31]tetratriacontane-6,9,21-triene-5-ol
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