(Q105156879)

English

(1R,2S,5R,6S,8R,9R,10R,12S,15R,16S,25S,27R,28S)-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol

chemical compound

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instance of

type of chemical entity

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subclass of

15,16,33,33-Tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol

1 reference

based on heuristic

inferred from SMILES

mass

599.32468816 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₅NO₆

0 references

canonical SMILES

OC1C(OC2CCC3(C)C(O)(CCC4C5OC(C)(C)C6CC7C(=C)CC8=CC=C9NC(=C5C9=C8C76O)C43C)C%102OC1%10)C(=C)C

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isomeric SMILES

C=C1Cc2ccc3[nH]c4c5c3c2[C@]2(O)[C@H]1C[C@H]2C(C)(C)O[C@@H]5[C@H]1CC[C@]2(O)[C@@]35O[C@@H]3[C@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@@]41C

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found in taxon

Penicillium crustosum

1 reference

stated in

High-field 13C n.m.r. evidence for the formation of [1,2-13C]acetate from [2-13C]acetate during the biosynthesis of penitrem A by Penicillium crustosum

Penicillium solitum

1 reference

stated in

High-field 13C n.m.r. evidence for the formation of [1,2-13C]acetate from [2-13C]acetate during the biosynthesis of penitrem A by Penicillium crustosum

Identifiers

InChI

InChI=1S/C37H45NO6/c1-16(2)28-27(39)31-37(44-31)23(42-28)11-12-33(6)34(7)19(10-13-35(33,37)40)29-25-24-21(38-30(25)34)9-8-18-14-17(3)20-15-22(32(4,5)43-29)36(20,41)26(18)24/h8-9,19-20,22-23,27-29,31,38-41H,1,3,10-15H2,2,4-7H3/t19-,20+,22+,23+,27-,28-,29-,31-,33-,34-,35-,36+,37+/m1/s1

0 references

InChIKey

LTCFBVUSILPMGG-FBHVUUNASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LTCFBVUSILPMGG-FBHVUUNASA-N

(Q105156879)

(1R,2S,5R,6S,8R,9R,10R,12S,15R,16S,25S,27R,28S)-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol

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Identifiers

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