Information From The InChI - The NIST WebBook

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Information from the InChI

There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.

• Formula: C65H104O31
• Molecular weight: 1381.5027
• IUPAC Standard InChI:
  • InChI=1S/C65H104O31/c1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7/h9,17-18,25,27-52,54-59,66-82H,10-16,19-24H2,1-8H3,(H,83,84)/t25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+,52+,54+,55-,56-,57+,58-,59-,61+,62-,63-,64+,65+/m0/s1
• IUPAC Standard InChIKey: CVMFAOXHGIFMQV-UQPBUZCGSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers: Note: stereochemistry is currently not indicated in the items above.

Contents of the identifier

Identifier version: 1S

Main section

• Formula: C65H104O31
• Connectivity: 1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7
• Hydrogen: 9,17-18,25,27-52,54-59,66-82H,10-16,19-24H2,1-8H3,(H,83,84)
• sp3 Stereo: 25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+,52+,54+,55-,56-,57+,58-,59-,61+,62-,63-,64+,65+
• Stereo type: 1