模绕酮酸
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IUPAC名 (4aS,6aR,6aS,6bR,8aS,12aS,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid
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系统IUPAC名 (1R,2R,5S,11S,14R,15R,20R)-1,2,8,8,15,19,19-heptamethyl-18-oxopentacyclo[12.8.0.02,11.05,10.015,20]docos-9-ene-5-carboxylic acid (1R,2R,5S,11S,14R,15R,20R)-1,2,8,8,15,19,19-七甲基五环[12.8.0.02,11.05,10.015,20]-9-二十二烯-18-酮-5-甲酸
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别名
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Ambronic acid; 3-Oxoolean-18-en-28-oic acid
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识别
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CAS号
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6713-27-5 Y
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PubChem
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489941
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ChemSpider
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429156
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SMILES
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- O=C2C([C@@H]1CC[C@@]4([C@@H]([C@@]1(C)CC2)CC[C@@H]5/C3=C/C(C)(C)CC[C@]3(C(=O)O)CC[C@@]45C)C)(C)C
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InChI
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- 1/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
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InChIKey
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UMYJVVZWBKIXQQ-QALSDZMNBW
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ChEBI
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30815
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性质
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化学式
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C30H46O3
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摩尔质量
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454.68 g·mol−1
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若非注明,所有数据均出自标准状态(25 ℃,100 kPa)下。
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