Dipsanoside B

CAS Registry Number®

889678-64-2

CAS Name

Dipsanoside B

Molecular Formula

C66H90O37

Molecular Mass

1475.40

Cite this Page

Dipsanoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=889678-64-2 (retrieved 2024-11-23) (CAS RN: 889678-64-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C66H90O37/c1-7-25-27(30(18-90-59(25)100-63-51(80)47(76)43(72)36(14-68)96-63)57(86)94-34-11-28-31(55(84)88-5)19-92-61(40(28)22(34)3)102-65-53(82)49(78)45(74)38(16-70)98-65)10-9-24(13-67)42-26(8-2)60(101-64-52(81)48(77)44(73)37(15-69)97-64)91-21-33(42)58(87)95-35-12-29-32(56(85)89-6)20-93-62(41(29)23(35)4)103-66-54(83)50(79)46(75)39(17-71)99-66/h7-9,13,18-23,25-29,34-54,59-66,68-83H,1-2,10-12,14-17H2,3-6H3/b24-9+/t22-,23-,25+,26+,27-,28+,29+,34-,35-,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47-,48-,49-,50-,51+,52+,53+,54+,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1

InChIKey

InChIKey=JGFCDHIJCNLFPY-TYGHAODNSA-N

SMILES

O([C@H]1[C@]2([C@@](C(C(OC)=O)=CO1)(C[C@H](OC(=O)C=3[C@@H](\C(=C\C[C@H]4[C@@H](C=C)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(O[C@@H]6[C@H](C)[C@@]7([C@](C6)(C(C(OC)=O)=CO[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[H])[H])=O)\C=O)[C@@H](C=C)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)OC3)[C@@H]2C)[H])[H])[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O

Canonical SMILES

O=CC(=CCC1C(=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C)C(=O)OC3CC4C(=COC(OC5OC(CO)C(O)C(O)C5O)C4C3C)C(=O)OC)C6C(=COC(OC7OC(CO)C(O)C(O)C7O)C6C=C)C(=O)OC8CC9C(=COC(OC%10OC(CO)C(O)C(O)C%10O)C9C8C)C(=O)OC

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 6-[[[(2S,3R,4R)-3-ethenyl-4-[(1Z)-3-[(2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-5-[[[(1S,4aS,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4-(methoxycarbonyl)-7-methylcyclopenta[c]pyran-6-yl]oxy]carbonyl]-3,4-dihydro-2H-pyran-4-yl]-1-formyl-1-propen-1-yl]-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-yl]carbonyl]oxy]-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, (1S,4aS,6S,7R,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 6-[[[(2S,3R,4R)-3-ethenyl-4-[(1Z)-3-[(2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-5-[[[(1S,4aS,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4-(methoxycarbonyl)-7-methylcyclopenta[c]pyran-6-yl]oxy]carbonyl]-3,4-dihydro-2H-pyran-4-yl]-1-formyl-1-propenyl]-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-yl]carbonyl]oxy]-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, (1S,4aS,6S,7R,7aS)-
  • Dipsanoside B

CAS INSIGHTSTM
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