(Q104665464)

English

[(2E,4E)-2-[(3R,4S,5S,6R,7Z,10S)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-3-yl]-10-methyl-6-methylideneundeca-2,4,9-trienyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[4,10-Dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-3-yl]-10-methyl-6-methylideneundeca-2,4,9-trienyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

528.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2E,4E)-2-[(3S,4R,5S,6R,7Z,10S)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-3-yl]-10-methyl-6-methylideneundeca-2,4,9-trienyl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

[(2E,4E)-2-[(3S,4S,5S,6R,7Z,10S)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-3-yl]-10-methyl-6-methylideneundeca-2,4,9-trienyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₈O₆

0 references

canonical SMILES

O=CC(=C1CCC(O)(C)C2(CCC(C(=CC=CC(=C)CCC=C(C)C)COC(=O)C)C2O)C1CCCO)C

0 references

isomeric SMILES

C=C(/C=C/C=C(/COC(C)=O)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)CCC=C(C)C

0 references

found in taxon

Tigridia pavonia

1 reference

stated in

Structure Determination of Tigridial, an Iridopentaene fromTigridia pavonia (Iridaceae)

Identifiers

InChI

InChI=1S/C32H48O6/c1-22(2)10-7-11-23(3)12-8-13-26(21-38-25(5)35)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10,12-13,20,28-30,33,36-37H,3,7,9,11,14-19,21H2,1-2,4-6H3/b12-8+,26-13-,27-24-/t28-,29-,30+,31+,32+/m1/s1

0 references

InChIKey

PCXCPWDHJKSSOL-JCFGFFBXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PCXCPWDHJKSSOL-JCFGFFBXSA-N

(Q104665464)

[(2E,4E)-2-[(3R,4S,5S,6R,7Z,10S)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-3-yl]-10-methyl-6-methylideneundeca-2,4,9-trienyl] acetate

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