(1R,5R,6R)-1-[[(1S,4aR,8aR)-Decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

CAS Registry Number®

85764-12-1

CAS Name

(1R,5R,6R)-1-[[(1S,4aR,8aR)-Decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

Molecular Formula

C22H30O5

Molecular Mass

374.47

Cite this Page

(1R,5R,6R)-1-[[(1S,4aR,8aR)-Decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85764-12-1 (retrieved 2024-11-25) (CAS RN: 85764-12-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H30O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-15,18-19,23,26H,1,5-8,10-11H2,2-4H3/t14-,15-,18+,19+,21+,22-/m0/s1

InChIKey

InChIKey=ZJZYSAJQOPJREK-MWQHCLGASA-N

SMILES

C([C@]12[C@](O1)([C@H](O)C(CO)=CC2=O)[H])[C@@H]3[C@]4(C)[C@](C(C)(C)C(=O)CC4)(CCC3=C)[H]

Canonical SMILES

O=C1C=C(CO)C(O)C2OC12CC3C(=C)CCC4C(C(=O)CCC34C)(C)C

Other Names for this Substance

  • 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 1-[[(1S,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl]methyl]-5-hydroxy-4-(hydroxymethyl)-, (1R,5R,6R)-
  • 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 1-[(decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl)methyl]-5-hydroxy-4-(hydroxymethyl)-, [1R-[1α(1S*,4aR*,8aR*),5β,6α]]-
  • (1R,5R,6R)-1-[[(1S,4aR,8aR)-Decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
  • Macrophorin B

CAS INSIGHTSTM
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