(Q125616698)

English

Methyl 5-(7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl)-2-methylpenta-2,4-dienoate

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

679.423673924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₇NO₅

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canonical SMILES

O=C(OC)C(=CC=CC1(C)C(O)CCC2(C)C1CCC3CC=4C5=CC=6C7=CC(OC(C)(C)C7C(O)C6C8=C5N(C4C32C)C(C(=C)C)C8)(C)C)C

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found in taxon

Nodulisporium

1 reference

stated in

Nodulisporic acid B, B1, and B2: a series of 1'-deoxy-nodulisporic acids from Nodulisporium sp.

Identifiers

InChI

InChI=1S/C44H57NO5/c1-23(2)31-21-29-34-26(30-22-40(4,5)50-41(6,7)35(30)37(34)47)20-27-28-19-25-14-15-32-42(8,17-12-13-24(3)39(48)49-11)33(46)16-18-43(32,9)44(25,10)38(28)45(31)36(27)29/h12-13,17,20,22,25,31-33,35,37,46-47H,1,14-16,18-19,21H2,2-11H3

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InChIKey

GSYZKWDOYZOUJB-UHFFFAOYSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

GSYZKWDOYZOUJB-UHFFFAOYSA-N

(Q125616698)

Methyl 5-(7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl)-2-methylpenta-2,4-dienoate

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