(Q106042231)

English

Iriomoteolide 1a

chemical compound

Aromatized C-1027 chromophore

In more languages

Statements

type of chemical entity

0 references

chemical compound

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506.32435381199986 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,3E,6S,7R,12R,13S,14E,17S)-1,2,13-trihydroxy-7-[(2S,3S)-3-hydroxy-2-methylbutyl]-2,6,11,12-tetramethyl-19-methylidene-8,21-dioxabicyclo[15.3.1]henicosa-3,10,14-trien-9-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O₇

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=C1CC2CC=CC(O)C(C)C(C)=CC(=O)OC(CC(C)C(C)O)C(C)CC=CC(C)(O)C(O)(C1)O2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=C1C[C@@H]2C/C=C/[C@H](O)[C@H](C)/C(C)=C\C(=O)O[C@H](C[C@H](C)[C@H](C)O)[C@@H](C)C/C=C/[C@@](C)(O)[C@](O)(C1)O2

1 reference

based on heuristic

inferred from InChI

Identifiers

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

1 reference

ChEBI release 2021-03-01

LZLQZSMXUGFMJF-OMEQKXGASA-N

1 reference

ChEBI release 2021-03-01

1 reference

ChEBI release 2021-03-01

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

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

UniChem compound ID

1 reference

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