(Q105337654)

English

(1R,2R,5S,8R,9S,11R,14R,15R,24R,26R,27R)-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18(29),19,21(28)-pentaene-5,8-diol

chemical compound

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instance of

type of chemical entity

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subclass of

14,15,32,32-Tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18(29),19,21(28)-pentaene-5,8-diol

1 reference

based on heuristic

inferred from SMILES

mass

567.33485892 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,5S,8R,9R,11S,14R,15S,24S,26R,27S)-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18(29),19,21(28)-pentaene-5,8-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₅NO₄

0 references

canonical SMILES

OC1C=C2C(OC1C(=C)C)CCC3(C)C2(O)CCC4C5OC(C)(C)C6CC7C(=C)CC8=CC=C9NC(=C5C9=C8C76)C43C

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isomeric SMILES

C=C(C)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4[C@H]5OC(C)(C)[C@@H]6C[C@H]7C(=C)Cc8ccc9[nH]c(c5c9c8[C@H]76)[C@]43C)C2=C[C@H]1O

0 references

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/C37H45NO4/c1-17(2)31-25(39)16-22-26(41-31)11-12-35(6)36(7)21(10-13-37(22,35)40)32-30-29-24(38-33(30)36)9-8-19-14-18(3)20-15-23(28(20)27(19)29)34(4,5)42-32/h8-9,16,20-21,23,25-26,28,31-32,38-40H,1,3,10-15H2,2,4-7H3/t20-,21-,23+,25+,26+,28+,31-,32+,35+,36-,37+/m0/s1

0 references

InChIKey

XOASTWITKYDKAJ-HEHQVYIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOASTWITKYDKAJ-HEHQVYIESA-N

(Q105337654)

(1R,2R,5S,8R,9S,11R,14R,15R,24R,26R,27R)-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18(29),19,21(28)-pentaene-5,8-diol

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