(Q104938485)

English

(2Z)-2-[(3S,4R,5S,6R,10S)-4,10-dihydroxy-3-[(2E,4E,6E)-1-hydroxy-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[4,10-Dihydroxy-3-(1-hydroxy-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl)-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal

1 reference

based on heuristic

inferred from SMILES

mass

486.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Iris foetidissima

1 reference

stated in

Structure Determination of New Iridals fromIris pallida andIris foetidissima

Identifiers

InChI

InChI=1S/C30H46O5/c1-21(2)9-6-10-22(3)11-7-12-24(20-33)26-15-17-30(28(26)34)27(13-8-18-31)25(23(4)19-32)14-16-29(30,5)35/h7,9-12,19,26-28,31,33-35H,6,8,13-18,20H2,1-5H3/b11-7+,22-10+,24-12-,25-23-/t26-,27+,28+,29-,30-/m0/s1

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InChIKey

BMPGBLDSYWACKF-JEGJQKMXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BMPGBLDSYWACKF-JEGJQKMXSA-N

1 reference

(Q104938485)

(2Z)-2-[(3S,4R,5S,6R,10S)-4,10-dihydroxy-3-[(2E,4E,6E)-1-hydroxy-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal

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Identifiers

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