(3E)-4-[(1R,2S,3S,4R,4aS,8aS)-Decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-3-buten-2-one

CAS Registry Number®

107647-14-3
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CAS Name

(3E)-4-[(1R,2S,3S,4R,4aS,8aS)-Decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-3-buten-2-one

Molecular Formula

C18H30O4

Molecular Mass

310.43

Cite this Page

(3E)-4-[(1R,2S,3S,4R,4aS,8aS)-Decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-3-buten-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107647-14-3 (retrieved 2024-08-22) (CAS RN: 107647-14-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H30O4/c1-11(19)7-8-12-17(4)10-6-9-16(2,3)14(17)13(20)15(21)18(12,5)22/h7-8,12-15,20-22H,6,9-10H2,1-5H3/b8-7+/t12-,13-,14+,15+,17-,18+/m1/s1

InChIKey

InChIKey=GUVJPXABQYFWPD-JOSLJWRDSA-N

SMILES

C[C@]12[C@@]([C@@H](O)[C@H](O)[C@@](C)(O)[C@@H]1/C=C/C(C)=O)(C(C)(C)CCC2)[H]

Canonical SMILES

O=C(C=CC1C(O)(C)C(O)C(O)C2C(C)(C)CCCC12C)C

Other Names for this Substance

  • 3-Buten-2-one, 4-[(1R,2S,3S,4R,4aS,8aS)-decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-, (3E)-
  • 3-Buten-2-one, 4-(decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-, [1R-[1α(E),2β,3α,4β,4aβ,8aα]]-
  • (3E)-4-[(1R,2S,3S,4R,4aS,8aS)-Decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-3-buten-2-one
  • Sterebin A
  • (+)-Sterebin A