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Substance Name: Distigmasteryl ether
RN: 113527-64-3
InChIKey: BYZVJNOEEBEBBB-UXMBIPMDSA-N

Molecular Formula

  • C58-H94-O

Molecular Weight

  • 807.38
 
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Names and Synonyms

Results Name

  • Distigmasteryl ether

Synonym

  • Distigmasteryl ether

Systematic Name

  • Stigmasta-5,22-diene, 3,3'-oxybis-, (3beta,22E)-(3'beta,22'E)-

Registry Numbers

CAS Registry Number

  • 113527-64-3

System Generated Number

  • 0113527643

Structure Descriptors

InChI

1S/C58H94O/c1-13-41(37(3)4)17-15-39(7)49-23-25-51-47-21-19-43-35-45(27-31-55(43,9)53(47)29-33-57(49,51)11)59-46-28-32-56(10)44(36-46)20-22-48-52-26-24-50(58(52,12)34-30-54(48)56)40(8)16-18-42(14-2)38(5)6/h15-20,37-42,45-54H,13-14,21-36H2,1-12H3/b17-15+,18-16+/t39-,40-,41-,42-,45+,46+,47?,48?,49-,50-,51?,52?,53?,54?,55+,56+,57-,58-/m1/s1

InChIKey

BYZVJNOEEBEBBB-UXMBIPMDSA-N

Smiles

O([C@@H]1CC2=CC[C@@H]3[C@@H]4CC[C@@H]([C@@H](\C=C\[C@@H](CC)C(C)C)C)[C@@]4(C)CC[C@@H]3[C@@]2(CC1)C)[C@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC=C2C1)[C@@H](\C=C\[C@@H](CC)C(C)C)C)C)C