(Q110172654)

English

5alpha,8alpha-epidioxy-23-methyl-(22E,24R)-ergosta-6,22-dien-3beta-OL

group of stereoisomers with the chemical formula C₂₉H₄₆O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

442.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₃

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canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C=C(C)C(C)C(C)C)C

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isomeric SMILES

C/C(=C\[C@@H](C)C1CCC2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3CC[C@]12C)OO4)[C@H](C)C(C)C

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found in taxon

Penicillium chrysogenum

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stated in

Isocoumarin Derivatives from the Sea Squirt-derived Fungus Penicillium stoloniferum QY2-10 and the Halotolerant Fungus Penicillium notatum B-52.

Penicillium notatum

1 reference

stated in

Isocoumarin Derivatives from the Sea Squirt-derived Fungus Penicillium stoloniferum QY2-10 and the Halotolerant Fungus Penicillium notatum B-52.

Identifiers

InChI

InChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+/t20-,21-,22+,23?,24?,25?,26-,27-,28-,29+/m1/s1

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InChIKey

BEFYGZGLHDYVIF-DPXMGVADSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BEFYGZGLHDYVIF-DPXMGVADSA-N

ChEBI ID

219014

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+/t20-,21-,22+,23?,24?,25?,26-,27-,28-,29+/m1/s1

Natural Product Atlas ID

NPA032597

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BEFYGZGLHDYVIF-DPXMGVADSA-N

(Q110172654)

5alpha,8alpha-epidioxy-23-methyl-(22E,24R)-ergosta-6,22-dien-3beta-OL

Statements

Identifiers

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