(Q105344439)

English

2-[(1S,2R,3'R,5S,7R,10S,11R,14R,15S,23S)-1',1',2,3',10,14,23-heptamethyl-18-sulfooxyspiro[6-oxahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-17,19,21-triene-7,2'-cyclohexane]-21-yl]-2-hydroxyacetic acid

group of stereoisomers with the chemical formula C₃₈H₅₆O₈S

In more languages

edit

Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

0 references

mass

672.369589752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₆O₈S

0 references

canonical SMILES

O=C(O)C(O)C1=CC=C(OS(=O)(=O)O)C2=C1C3(C)CCC4C(C)(CCC5C6(C)CCC7(OC6CCC54C)C(C)CCCC7(C)C)C3C2

0 references

isomeric SMILES

C[C@@H]1CCCC(C)(C)[C@@]12CC[C@]1(C)[C@H](CC[C@]3(C)[C@H]4CC[C@]5(C)c6c(C(O)C(=O)O)ccc(OS(=O)(=O)O)c6C[C@H]5[C@]4(C)CC[C@@H]13)O2

0 references

found in taxon

Haliclona

1 reference

stated in

Adociasulfate 10, A New Merohexaprenoid Sulfate from the Sponge Haliclona (aka Adocia) sp.

Identifiers

InChI

InChI=1S/C38H56O8S/c1-22-9-8-15-33(2,3)38(22)20-19-36(6)27-12-16-35(5)26(34(27,4)18-14-29(36)45-38)13-17-37(7)28(35)21-24-25(46-47(42,43)44)11-10-23(30(24)37)31(39)32(40)41/h10-11,22,26-29,31,39H,8-9,12-21H2,1-7H3,(H,40,41)(H,42,43,44)/t22-,26-,27-,28+,29+,31?,34-,35-,36+,37+,38-/m1/s1

0 references

InChIKey

XYEAFRXFNHUCSD-GKJVZBCHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYEAFRXFNHUCSD-GKJVZBCHSA-N

1 reference

(Q105344439)

2-[(1S,2R,3'R,5S,7R,10S,11R,14R,15S,23S)-1',1',2,3',10,14,23-heptamethyl-18-sulfooxyspiro[6-oxahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-17,19,21-triene-7,2'-cyclohexane]-21-yl]-2-hydroxyacetic acid

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)