Secaubrytriol

CAS Registry Number®

925932-10-1
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CAS Name

Secaubrytriol

Molecular Formula

C30H50O5

Molecular Mass

490.71

Cite this Page

Secaubrytriol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=925932-10-1 (retrieved 2024-04-29) (CAS RN: 925932-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H50O5/c1-19(7-10-24(32)26(3,4)35)21-11-13-28(6)23-9-8-22(20(2)17-31)29(14-12-25(33)34)18-30(23,29)16-15-27(21,28)5/h19,21-24,31-32,35H,2,7-18H2,1,3-6H3,(H,33,34)/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1

InChIKey

InChIKey=NFSDEMPRAKPPFK-HIGWZERASA-N

SMILES

C(CC(O)=O)[C@]12[C@]3([C@]([C@@]4(C)[C@](C)(CC3)[C@@]([C@@H](CC[C@H](C(C)(C)O)O)C)(CC4)[H])(CC[C@H]1C(CO)=C)[H])C2

Canonical SMILES

O=C(O)CCC12CC32CCC4(C)C(CCC4(C)C3CCC1C(=C)CO)C(C)CCC(O)C(O)(C)C

Other Names for this Substance

  • 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, 7-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]decahydro-3-[1-(hydroxymethyl)ethenyl]-6a,9a-dimethyl-, (3R,3aR,4aS,6aR,7R,9aS,9bS)-
  • (3R,3aR,4aS,6aR,7R,9aS,9bS)-7-[(1R,4R)-4,5-Dihydroxy-1,5-dimethylhexyl]decahydro-3-[1-(hydroxymethyl)ethenyl]-6a,9a-dimethyl-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid
  • Secaubrytriol

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