16aH-1,6:2,6-Diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16,16a,17-triol, eicosahydro-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, 16-benzoate, (1R,2R,4R,4aR,6S,14R,14aR,15S,16S,16aS,16bR,17S,17aR,18aS,18bS)-

CAS Registry Number®

66107-37-7

CAS Name

16aH-1,6:2,6-Diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16,16a,17-triol, eicosahydro-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, 16-benzoate, (1R,2R,4R,4aR,6S,14R,14aR,15S,16S,16aS,16bR,17S,17aR,18aS,18bS)-

Molecular Formula

C37H50O9

Molecular Mass

638.79

Cite this Page

16aH-1,6:2,6-Diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16,16a,17-triol, eicosahydro-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, 16-benzoate, (1R,2R,4R,4aR,6S,14R,14aR,15S,16S,16aS,16bR,17S,17aR,18aS,18bS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66107-37-7 (retrieved 2024-11-13) (CAS RN: 66107-37-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H50O9/c1-20(2)33-18-22(4)37-26-29(33)44-35(45-33,46-37)17-13-8-6-7-10-14-21(3)25-23(5)28(42-31(39)24-15-11-9-12-16-24)36(41,27(25)37)32(40)34(19-38)30(26)43-34/h9,11-12,15-16,21-23,25-30,32,38,40-41H,1,6-8,10,13-14,17-19H2,2-5H3/t21-,22-,23+,25+,26-,27-,28+,29-,30+,32-,33-,34+,35-,36-,37-/m1/s1

InChIKey

InChIKey=IAPHKDDUYAWCMB-RVXSWFTCSA-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)[C@@H]6OC(=O)C7=CC=CC=C7)([C@H](C)CCCCCCC[C@@]8(O3)O[C@]4([C@](C(C)=C)(C1)O8)[H])[H])[H])[H])[H]

Canonical SMILES

O=C(OC1C(C)C2C(C)CCCCCCCC34OC5C6C7OC7(CO)C(O)C1(O)C2C6(O3)C(C)CC5(O4)C(=C)C)C=8C=CC=CC8

Other Names for this Substance

  • 16aH-1,6:2,6-Diepoxybenz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclotridecin-16,16a,17-triol, eicosahydro-17a-(hydroxymethyl)-4,14,15-trimethyl-2-(1-methylethenyl)-, 16-benzoate, (1R,2R,4R,4aR,6S,14R,14aR,15S,16S,16aS,16bR,17S,17aR,18aS,18bS)-
  • Gnidimacrin, 18-de(benzoyloxy)-28-deoxy-
  • Gnilatimacrin
  • Pimelea factor P2
  • Linifolin b

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CAS INSIGHTSTM
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