Cotylenin A

CAS Registry Number®

12708-37-1
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CAS Name

Cotylenin A

Molecular Formula

C33H50O11

Molecular Mass

622.74

Cite this Page

Cotylenin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12708-37-1 (retrieved 2024-05-15) (CAS RN: 12708-37-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95-97 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1

InChIKey

InChIKey=SMQRKTIIIYTOTN-MZGHRPKVSA-N

SMILES

C(OC)[C@@H]1[C@@]23[C@](O[C@@](O2)([C@@](C)(O3)[C@@]4(CO4)[H])[H])([C@@H](O)[C@@H](O[C@@H]5C=6[C@@](C)(C=C7[C@]([C@@H](C)[C@H]5O)(CC[C@@]7(COC)O)[H])CCC6C(C)C)O1)[H]

Canonical SMILES

OC1C(OC2C3=C(CCC3(C=C4C(CCC4(O)COC)C(C)C2O)C)C(C)C)OC(COC)C56OC(OC15)C(O6)(C)C7OC7

Other Names for this Substance

  • Dicyclopenta[a,d]cyclooctene-5,9-diol, 1,2,4,5,6,6a,7,8,9,10a-decahydro-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)-4-[[(2S,3S,4aS,5R,7S,8R,8aR)-tetrahydro-8-hydroxy-5-(methoxymethyl)-3-methyl-3-[(2S)-2-oxiranyl]-7H-2,4a-epoxy-5H-pyrano[3,4-b]-1,4-dioxin-7-yl]oxy]-, (4R,5R,6R,6aS,9R,10aR)-
  • α-D-xylo-Hexopyranosid-4-ulose, 1,2,4,5,6,6a,7,8,9,10a-decahydro-5,9-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta[a,d]cycloocten-4-yl 6-O-methyl-, cyclic 2-hydroxy-1-methyl-1-oxiranyl-1,2-ethanediyl acetal, cyclic 3,42-anhydride, [1(4R,5R,6R,6aS,9R,10aR),4R[1S(S),2S]]-
  • Dicyclopenta[a,d]cyclooctene-1,5-diol, 1,2,3,3a,4,5,6,8,9,9a-decahydro-1-(methoxymethyl)-4-methyl-7-(1-methylethyl)-6-[[(2S,3S,4aS,5R,7S,8R,8aR)-tetrahydro-8-hydroxy-5-(methoxymethyl)-3-methyl-3-[(2S)-oxiranyl]-7H-2,4a-epoxy-5H-pyrano[3,4-b]-1,4-dioxin-7-yl]oxy]-, (1R,3aS,4R,5R,6R,9aR)-
  • Dicyclopenta[a,d]cyclooctene, α-D-xylo-hexopyranosid-4-ulose deriv.
  • 7H-2,4a-Epoxy-5H-pyrano[3,4-b]-1,4-dioxin, α-D-xylo-hexopyranosid-4-ulose deriv.

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