(Q104916428)

English

(6R)-6-[(1S,3S,6S,8R,11S,12S,14S,15R,16R,18R)-14,18-dihydroxy-7,7,12,16-tetramethyl-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylheptan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[14,18-Dihydroxy-7,7,12,16-tetramethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one

1 reference

based on heuristic

inferred from SMILES

mass

636.4237335 dalton

1 reference

1 reference

C₃₆H₆₀O₉

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canonical SMILES

O=C(CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC64CC36C(O)CC12C)C(C)C

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isomeric SMILES

CC(C)C(=O)CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@]35[C@H](O)C[C@]12C

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found in taxon

Curculigo orchioides

1 reference

stated in

Glycosides of a cycloartane sapogenin fromCurculigo orchioides

Identifiers

InChI

InChI=1S/C36H60O9/c1-18(2)20(38)9-8-19(3)27-21(39)14-33(6)24-11-10-23-32(4,5)26(45-31-30(43)29(42)28(41)22(16-37)44-31)12-13-35(23)17-36(24,35)25(40)15-34(27,33)7/h18-19,21-31,37,39-43H,8-17H2,1-7H3/t19-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,33+,34-,35+,36-/m1/s1

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InChIKey

APNOBRRKGDSVMK-BBBVMDEBSA-N

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(Q104916428)

(6R)-6-[(1S,3S,6S,8R,11S,12S,14S,15R,16R,18R)-14,18-dihydroxy-7,7,12,16-tetramethyl-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylheptan-3-one

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Identifiers

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