Chem
J-GLOBAL ID:200907001963712690
Nikkaji number:J2.497.813C
Stellettin M
ステレッチンM
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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:
C30 H42 O4
Molecular formula furigana:
C30-H42-O4
Molecular weight:
466.662
InChI:
InChI=1S/C30H42O4/c1-19(11-9-13-21(3)27(33)34)10-8-12-20(2)26-22(31)18-24-29(6)17-15-25(32)28(4,5)23(29)14-16-30(24,26)7/h8-13,23-25,32H,14-18H2,1-7H3,(H,33,34)/b11-9+,12-8+,19-10+,21-13+,26-20+/t23-,24-,25-,29-,30-/m0/s1
InChI key:
HQKNXSLBDXDYEF-BPBRLBPSSA-N
SMILES:
C/C(=C\C=C\C(=C\1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C)\C)/C=C/C=C(\C)/C(=O)O
Systematic name (3):
(3aS,5aR,7S,9aR,9bS)-3-[(1Z,2E,4E,6E,8E)-9-カルボキシ-1,5-ジメチル-2,4,6,8-デカテトラエン-1-イリデン]-7-ヒドロキシ-3a,4,5,5a,6,7,8,9,9a,9b-デカヒドロ-3a,6,6,9a-テトラメチル-1H-ベンゾ[e]インデン-2(3H)-オン
(2E,4E,6E,8E)-10-[(3Z,3aS,5aR,7S,9aR,9bS)-7-ヒドロキシ-3a,6,6,9a-テトラメチル-2-オキソ-ドデカヒドロ-1H-シクロペンタ[a]ナフタレン-3-イリデン]-2,6-ジメチルウンデカ-2,4,6,8-テトラエン酸
(2E,4E,6E,8E)-10-[(3Z,3aS,5aR,7S,9aR,9bS)-7-hydroxy-3a,6,6,9a-tetramethyl-2-oxo-dodecahydro-1H-cyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid
Other name (3):
(3aS,5aR,7S,9aR,9bS)-3-[(1Z,2E,4E,6E,8E)-9-Carboxy-1,5-dimethyl-2,4,6,8-decatetraene-1-ylidene]-7-hydroxy-3a,4,5,5a,6,7,8,9,9a,9b-decahydro-3a,6,6,9a-tetramethyl-1H-benzo[e]indene-2(3H)-one
ステレッチンM
Stellettin M
CAS registry number:
945984-97-4
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