(Q105208801)

English

[(2S,3R,6S,8S,9R,12S,15S,22R)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl] acetate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

629.371638352 dalton

1 reference

1 reference

C₃₉H₅₁NO₆

0 references

canonical SMILES

O=C(OC1C=C2C(OC1C(O)(C)C)CCC3(C)C2(O)CCC4CC=5C6=CC7=C(C=C6NC5C43C)C8=CC(OC(C)(C)C8C7)(C)C)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O

0 references

found in taxon

Penicillium janthinellum

1 reference

stated in

Structure elucidation of the janthitrems, novel tremorgenic mycotoxins from Penicillium janthinellum

Penicillium simplicissimum

1 reference

stated in

Structure elucidation of the janthitrems, novel tremorgenic mycotoxins from Penicillium janthinellum

Penicillium ianthinellum

1 reference

stated in

Structure elucidation of the janthitrems, novel tremorgenic mycotoxins from Penicillium janthinellum

Identifiers

InChI

InChI=1S/C39H51NO6/c1-20(41)44-31-18-28-30(45-33(31)35(4,5)42)11-12-37(8)38(9)22(10-13-39(28,37)43)16-25-24-14-21-15-27-26(19-34(2,3)46-36(27,6)7)23(21)17-29(24)40-32(25)38/h14,17-19,22,27,30-31,33,40,42-43H,10-13,15-16H2,1-9H3/t22-,27+,30-,31+,33-,37+,38+,39+/m0/s1

0 references

InChIKey

PGYSJEQVCATFBQ-YQENVTARSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PGYSJEQVCATFBQ-YQENVTARSA-N

(Q105208801)

[(2S,3R,6S,8S,9R,12S,15S,22R)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl] acetate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)