(Q105035232)

English

(5aR,6S,7S,9aR)-6-[(E)-2-[(2R,3R,5aR,9aR)-2-hydroxy-3,6,6,9a-tetramethyl-4,5,5a,7,8,9-hexahydro-3H-benzo[b]oxepin-2-yl]ethenyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one

chemical compound

In more languages

default for all languages

No label defined

No description defined

edit

Statements

instance of

type of chemical entity

0 references

subclass of

7-hydroxy-6-[2-(2-hydroxy-3,6,6,9a-tetramethyl-4,5,5a,7,8,9-hexahydro-3H-benzo[b]oxepin-2-yl)ethenyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one

1 reference

1 reference

490.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₅

0 references

canonical SMILES

O=C1CCC2(C)C(OC1(C)C)CCC(O)(C)C2C=CC3(O)OC4(C)CCCC(C)(C)C4CCC3C

0 references

isomeric SMILES

C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)O[C@@]1(O)/C=C/[C@@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@]12C

0 references

found in taxon

Callyspongia siphonella

1 reference

stated in

New triterpenoids from the Red Sea sponge Siphonochalina siphonella

Identifiers

InChI

InChI=1S/C30H50O5/c1-20-10-11-21-25(2,3)15-9-16-29(21,8)35-30(20,33)19-12-22-27(6)17-13-23(31)26(4,5)34-24(27)14-18-28(22,7)32/h12,19-22,24,32-33H,9-11,13-18H2,1-8H3/b19-12+/t20-,21-,22+,24-,27-,28+,29-,30+/m1/s1

0 references

InChIKey

HYBNTAIXYWGGDJ-AGRYFRSESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HYBNTAIXYWGGDJ-AGRYFRSESA-N

(Q105035232)

(5aR,6S,7S,9aR)-6-[(E)-2-[(2R,3R,5aR,9aR)-2-hydroxy-3,6,6,9a-tetramethyl-4,5,5a,7,8,9-hexahydro-3H-benzo[b]oxepin-2-yl]ethenyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one

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)