(Q125617315)

English

[(1R,3S,4R,8S,10R,11S,14R)-4-methoxy-10,11-dimethyl-7-methylidene-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-14-yl] 2-hydroxy-2-(hydroxymethyl)-4,6-dimethyloctanoate

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

480.30870374799997 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₇

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canonical SMILES

O=C(OC1CCC(C)C2(C)CC3C(=C)COC3(OC)C4OC142)C(O)(CO)CC(C)CC(C)CC

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isomeric SMILES

C=C1CO[C@@]2(OC)[C@H]3O[C@]34[C@H](OC(=O)C(O)(CO)CC(C)CC(C)CC)CC[C@H](C)[C@@]4(C)C[C@@H]12

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found in taxon

Cryptosphaeria

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stated in

Cryptosphaerolide, a cytotoxic Mcl-1 inhibitor from a marine-derived ascomycete related to the genus Cryptosphaeria.

Identifiers

InChI

InChI=1S/C27H44O7/c1-8-16(2)11-17(3)12-25(30,15-28)23(29)33-21-10-9-19(5)24(6)13-20-18(4)14-32-27(20,31-7)22-26(21,24)34-22/h16-17,19-22,28,30H,4,8-15H2,1-3,5-7H3/t16?,17?,19-,20-,21+,22-,24+,25?,26+,27+/m0/s1

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InChIKey

LIJRLBTYHSOBRF-ZPMGOZGYSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

LIJRLBTYHSOBRF-ZPMGOZGYSA-N

(Q125617315)

[(1R,3S,4R,8S,10R,11S,14R)-4-methoxy-10,11-dimethyl-7-methylidene-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-14-yl] 2-hydroxy-2-(hydroxymethyl)-4,6-dimethyloctanoate

Statements

Identifiers

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