Chem
J-GLOBAL ID：200907015933543762   Nikkaji number：J976.813K

Zoanthamine

ゾアンタミン
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： C30H41NO5
Molecular formula furigana： C30-H41-N-O5
Molecular weight： 495.660
InChI： InChI=1S/C30H41NO5/c1-16-10-20-23(21(32)11-16)18(3)24(34)25-26(20,4)15-30-28(6,27(25,5)13-22(33)36-30)7-8-29-12-17(2)9-19(35-29)14-31(29)30/h11,17-20,23,25H,7-10,12-15H2,1-6H3/t17-,18+,19+,20+,23-,25-,26-,27-,28-,29-,30+/m0/s1
InChI key： MHFATIOKBJDEOV-WVSSUJGVSA-N
SMILES： C[C@H]1C[C@@H]2CN3[C@](CC[C@@]4(C)[C@@]5(C)CC(=O)O[C@@]34C[C@@]3(C)[C@@H]4CC(=CC(=O)[C@H]4[C@@H](C)C(=O)[C@H]53)C)(C1)O2
Systematic name  (3)：
  • (2R)-1,2,3,4,6,7,8,8aα,9,10,11,12,12a,13-テトラデカヒドロ-4α,7aα,8,10α,12aβ,18-ヘキサメチル-5H,7aH-2α,5aα-エポキシ-11α,12β-[2]ブテノ-13aβ,8β-(エポキシエタノ)-13b-アザ-13bH-シクロヘプタ[a]アントラセン-9,15,20-トリオン
  • (1R,3S,4R,9R,10R,12S,13S,14S,17S,19S,21R)-3,6,10,13,14,19-ヘキサメチル-24,27-ジオキサ-23-アザヘプタシクロ[11.10.3.117,21.01,14.03,12.04,9.017,23]ヘプタコサ-6-エン-8,11,25-トリオン
  • (1R,3S,4R,9R,10R,12S,13S,14S,17S,19S,21R)-3,6,10,13,14,19-hexamethyl-24,27-dioxa-23-azaheptacyclo[11.10.3.117,21.01,14.03,12.04,9.017,23]heptacos-6-ene-8,11,25-trione
Other name (3)：
  • (2R)-1,2,3,4,6,7,8,8aα,9,10,11,12,12a,13-Tetradecahydro-4α,7aα,8,10α,12aβ,18-hexamethyl-5H,7aH-2α,5aα-epoxy-11α,12β-[2]buteno-13aβ,8β-(epoxyethano)-13b-aza-13bH-cyclohepta[a]anthracene-9,15,20-trione
  • ゾアンタミン
  • Zoanthamine
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