CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C(O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@]6(C)[C@H]4CC[C@]23C)C1

이름: 4

IUPAC: (2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(1S,2S,3S,5S,6S,7R,9R,11S,12S,15R,16S)-3,6,14-trihydroxy-2,16-dimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]ethyl]-2,3-dihydropyran-6-one

SMILES:

CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2C(O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@]6(C)[C@H]4CC[C@]23C)C1

Canonical SMILES: CC1=C(C(=O)OC(C1)C(C)C2C(CC3C2(CCC4C3CC5C6(C4(C(CC(C6O)OC7C(C(C(C(O7)CO)O)O)O)O)C)O5)C)O)CO

분자식: C34H52O13

분자량: 668.80

InChIKey: HSRAUHLTIDICJW-LWFKMPOWSA-N

InChI:

InChI=1S/C34H52O13/c1-13-7-20(44-30(43)16(13)11-35)14(2)25-19(37)9-18-15-8-24-34(47-24)29(42)21(45-31-28(41)27(40)26(39)22(12-36)46-31)10-23(38)33(34,4)17(15)5-6-32(18,25)3/h14-15,17-29,31,35-42H,5-12H2,1-4H3/t14-,15-,17+,18+,19?,20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m1/s1

PubChem CID: 101231933 →

동의어

4,16-Dihydroxy-5beta,6beta-epoxyphysagulin DHSRAUHLTIDICJW-LWFKMPOWSA-N4, 16-dihydroxy-5beta,6beta-epoxyphysagulin D

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