(Q110174482)

English

(5R,6S,7E,10S,12Z,15R,16E,19S,20R)-6,10,15-trihydroxy-20-[(2S,3S)-3-hydroxy-2-methylbutyl]-4,5,12,15,19-pentamethyl-1-oxacycloicosa-3,7,12,16-tetraene-2,14-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

506.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₇

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canonical SMILES

O=C1OC(CC(C)C(O)C)C(C)CC=CC(O)(C(=O)C=C(C)CC(O)CC=CC(O)C(C(=C1)C)C)C

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isomeric SMILES

CC1=CC(=O)O[C@H](C[C@H](C)[C@H](C)O)[C@@H](C)C/C=C/[C@@](C)(O)C(=O)/C=C(/C)C[C@@H](O)C/C=C/[C@H](O)[C@@H]1C

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found in taxon

Amphidinium

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stated in

Iriomoteolides-1b and -1c, 20-membered macrolides from a marine dinoflagellate Amphidinium species.

Identifiers

InChI

InChI=1S/C29H46O7/c1-18-14-24(31)11-8-12-25(32)22(5)20(3)17-28(34)36-26(16-21(4)23(6)30)19(2)10-9-13-29(7,35)27(33)15-18/h8-9,12-13,15,17,19,21-26,30-32,35H,10-11,14,16H2,1-7H3/b12-8+,13-9+,18-15-,20-17?/t19-,21-,22+,23-,24-,25-,26+,29+/m0/s1

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InChIKey

BJCWEMHNHLDTHU-NSVWRUSSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BJCWEMHNHLDTHU-NSVWRUSSSA-N

(Q110174482)

(5R,6S,7E,10S,12Z,15R,16E,19S,20R)-6,10,15-trihydroxy-20-[(2S,3S)-3-hydroxy-2-methylbutyl]-4,5,12,15,19-pentamethyl-1-oxacycloicosa-3,7,12,16-tetraene-2,14-dione

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Identifiers

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