Chem
J-GLOBAL ID:200907009842484860
Nikkaji number:J788.387K
WB-2663C
(2S,3Z)-4-{[(2R,3R,5S,6S)-2,5-ジメチル-6-[(2E,4E)-3-メチル-5-[(3R,4R,5R,7S,8R)-4,7,8-トリヒドロキシ-7-メチル-1,6-ジオキサスピロ[2.5]オクタン-5-イル]ペンタ-2,4-ジエン-1-イル]オキサン-3-イル]カルバモイル}ブタ-3-エン-2-イル アセタート
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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:
C27 H41 NO9
Molecular formula furigana:
C27-H41-N-O9
Molecular weight:
523.623
InChI:
InChI=1S/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,25-,26-,27+/m0/s1
InChI key:
DQTXAXNYLWRTPB-NTVXLVODSA-N
SMILES:
C[C@H](OC(=O)C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(\C)/C=C/[C@H]2O[C@](C)(O)[C@H](O)[C@@]3(CO3)[C@@H]2O)O[C@@H]1C
Systematic name (3):
酢酸(1S,2Z)-1-メチル-4-オキソ-4-[[[(2R,3R,5S,6S)-2,5-ジメチル-6-[(2E,4E)-3-メチル-5-[(3R,4R,5R,7S,8R)-4,7,8-トリヒドロキシ-7-メチル-1,6-ジオキサスピロ[2.5]オクタン-5-イル]-2,4-ペンタジエニル]テトラヒドロ-2H-ピラン]-3-イル]アミノ]-2-ブテニル
(2S,3Z)-4-{[(2R,3R,5S,6S)-2,5-ジメチル-6-[(2E,4E)-3-メチル-5-[(3R,4R,5R,7S,8R)-4,7,8-トリヒドロキシ-7-メチル-1,6-ジオキサスピロ[2.5]オクタン-5-イル]ペンタ-2,4-ジエン-1-イル]オキサン-3-イル]カルバモイル}ブタ-3-エン-2-イル アセタート
(2S,3Z)-4-{[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]penta-2,4-dien-1-yl]oxan-3-yl]carbamoyl}but-3-en-2-yl acetate
Other name (3):
FR-901465
Acetic acid (1S,2Z)-1-methyl-4-oxo-4-[[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]octane-5-yl]-2,4-pentadienyl]tetrahydro-2H-pyran]-3-yl]amino]-2-butenyl ester
WB-2663C
CAS registry number:
146478-73-1
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