(1R,2R,4R,4aR,6S,14R,14aR,15S,16aS,16bR,17S,17aR,18aS,18bS)-Eicosahydro-16a,17-dihydroxy-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-16H-1,6:2,6-diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16-one

CAS Registry Number®

66107-38-8
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CAS Name

(1R,2R,4R,4aR,6S,14R,14aR,15S,16aS,16bR,17S,17aR,18aS,18bS)-Eicosahydro-16a,17-dihydroxy-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-16H-1,6:2,6-diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16-one

Molecular Formula

C30H44O8

Molecular Mass

532.67

Cite this Page

(1R,2R,4R,4aR,6S,14R,14aR,15S,16aS,16bR,17S,17aR,18aS,18bS)-Eicosahydro-16a,17-dihydroxy-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-16H-1,6:2,6-diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66107-38-8 (retrieved 2024-08-14) (CAS RN: 66107-38-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H44O8/c1-15(2)26-13-17(4)30-20-23(26)36-28(37-26,38-30)12-10-8-6-7-9-11-16(3)19-18(5)22(32)29(34,21(19)30)25(33)27(14-31)24(20)35-27/h16-21,23-25,31,33-34H,1,6-14H2,2-5H3/t16-,17-,18+,19+,20-,21-,23-,24+,25-,26-,27+,28-,29-,30-/m1/s1

InChIKey

InChIKey=YTMZOVBDBJZQRD-RSRQXKISSA-N

SMILES

C[C@H]1[C@@]23[C@]4([C@]5([C@](CO)(O5)[C@@H](O)[C@@]6(O)[C@]2([C@]([C@H](C)C6=O)([C@H](C)CCCCCCC[C@@]7(O3)O[C@]4([C@](C(C)=C)(C1)O7)[H])[H])[H])[H])[H]

Canonical SMILES

O=C1C(C)C2C(C)CCCCCCCC34OC5C6C7OC7(CO)C(O)C1(O)C2C6(O3)C(C)CC5(O4)C(=C)C

Other Names for this Substance

  • 16H-1,6:2,6-Diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16-one, eicosahydro-16a,17-dihydroxy-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, (1R,2R,4R,4aR,6S,14R,14aR,15S,16aS,16bR,17S,17aR,18aS,18bS)-
  • Gnidimacrin, 3,18-dide(benzoyloxy)-28-deoxy-3-oxo-
  • (1R,2R,4R,4aR,6S,14R,14aR,15S,16aS,16bR,17S,17aR,18aS,18bS)-Eicosahydro-16a,17-dihydroxy-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-16H-1,6:2,6-diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16-one
  • Wikstroelide E
  • 16H-1,6:2,6-Diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16-one, eicosahydro-16a,17-dihydroxy-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, [1R-(1R*,2R*,4R*,4aR*,6S*,14R*,14aR*,15S*,16aS*,16bR*,17S*,17aR*,18aS*,18bS*)]-

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