(Q105034686)

English

(1S,2S,3S,10S,11S,13R,15E,20R,23S,24S,25R,27R,29R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione

chemical compound

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instance of

type of chemical entity

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subclass of

1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.1³,²⁷.1¹⁰,¹³.0²,²⁰.0²⁰,²⁵]triaconta-6,8,15-triene-5,17-dione

1 reference

based on heuristic

inferred from SMILES

(8E)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.1³,²⁷.1¹⁰,¹³.0²,²⁰.0²⁰,²⁵]triaconta-6,8,15-triene-5,17-dione

1 reference

based on heuristic

inferred from SMILES

mass

546.246497416 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,3S,6Z,8E,10S,11S,13R,15E,20R,23S,24S,25R,27R,29R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₁₀

0 references

canonical SMILES

O=C1OCC23CCC(O)(C)C4CC5(O)C(OC42)C(O)C(OC(=O)C=CC=CC6OC(OC6C)CC(=C1)C)C53C

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isomeric SMILES

C/C1=C\C(=O)OC[C@]23CC[C@](C)(O)[C@H]4C[C@@]5(O)[C@H](O[C@H]42)[C@H](O)[C@@H](OC(=O)C=CC=C[C@@H]2O[C@H](C1)O[C@H]2C)[C@@]53C

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found in taxon

Albifimbria verrucaria

1 reference

stated in

Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria

Myrothecium verrucaria

1 reference

stated in

Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria

Identifiers

InChI

InChI=1S/C29H38O10/c1-15-11-20(31)35-14-28-10-9-26(3,33)17-13-29(34)25(39-23(17)28)22(32)24(27(28,29)4)38-19(30)8-6-5-7-18-16(2)36-21(12-15)37-18/h5-8,11,16-18,21-25,32-34H,9-10,12-14H2,1-4H3/b7-5?,8-6?,15-11+/t16-,17-,18-,21+,22+,23+,24+,25+,26-,27+,28+,29+/m0/s1

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InChIKey

HWKRKZKQSUCWKS-UCARJYNLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105034686)

(1S,2S,3S,10S,11S,13R,15E,20R,23S,24S,25R,27R,29R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione

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