(Q105150143)

English

(1R,12R,19R,22R,26S,28R,31S)-22-hydroxy-26-(2-hydroxypropan-2-yl)-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7,14,23-pentaene-2,17,25-trione

chemical compound

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subclass of

22-Hydroxy-26-(2-hydroxypropan-2-yl)-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7,14,23-pentaene-2,17,25-trione

1 reference

based on heuristic

inferred from SMILES

mass

617.335252844 dalton

1 reference

1 reference

C₃₇H₄₇NO₇

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canonical SMILES

CC1(C)C=C2c3cc4c(cc3CC2C(C)(C)O1)C(=O)CC1CCC2(O)C3=CC(=O)C(C(C)(C)O)OC3CCC2(C)C1(C)C(=O)N4

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isomeric SMILES

CC1(C)C=C2c3cc4c(cc3C[C@H]2C(C)(C)O1)C(=O)C[C@H]1CC[C@]2(O)C3=CC(=O)[C@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@]1(C)C(=O)N4

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found in taxon

Penicillium miczynskii

1 reference

stated in

Antiinsectan alkaloids: Shearinines A-C and a new paxilline derivative from the ascostromata of Eupenicillium shearii

Penicillium shearii

1 reference

stated in

Antiinsectan alkaloids: Shearinines A-C and a new paxilline derivative from the ascostromata of Eupenicillium shearii

Identifiers

InChI

InChI=1S/C37H47NO7/c1-32(2)18-23-21-16-26-22(13-19(21)14-24(23)34(5,6)45-32)27(39)15-20-9-12-37(43)25-17-28(40)30(33(3,4)42)44-29(25)10-11-35(37,7)36(20,8)31(41)38-26/h13,16-18,20,24,29-30,42-43H,9-12,14-15H2,1-8H3,(H,38,41)/t20-,24-,29-,30-,35+,36+,37+/m1/s1

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InChIKey

LDBPDEYXOGTRJD-HUCWXTJPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LDBPDEYXOGTRJD-HUCWXTJPSA-N

(Q105150143)

(1R,12R,19R,22R,26S,28R,31S)-22-hydroxy-26-(2-hydroxypropan-2-yl)-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7,14,23-pentaene-2,17,25-trione

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