β-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester, hydrochloride (1:1)

CAS Registry Number®

138605-00-2
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CAS Name

β-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester, hydrochloride (1:1)

Molecular Formula

C27H43NO8.ClH

Cite this Page

β-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=138605-00-2 (retrieved 2024-04-25) (CAS RN: 138605-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H43NO8.ClH/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24;/h10,17,20-22,30,33H,1,11-15H2,2-9H3;1H/t17-,20-,21-,22-,24-,25-,26+,27-;/m0./s1

InChIKey

InChIKey=VIRRLEDAYYYTOD-YHEOSNBFSA-N

SMILES

O[C@@]12[C@]3(C)[C@@]([C@H](OC(CCN(C)C)=O)[C@H](OC(C)=O)[C@@]1(C)O[C@](C=C)(C)CC2=O)(C(C)(C)CC[C@@H]3O)[H].Cl

Canonical SMILES

Cl.O=C(OC1C(OC(=O)CCN(C)C)C2C(C)(C)CCC(O)C2(C)C3(O)C(=O)CC(OC13C)(C=C)C)C

Other Names for this Substance

  • β-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester, hydrochloride (1:1)
  • β-Alanine, N,N-dimethyl-, 5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester, hydrochloride, [3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα)]-
  • β-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester, hydrochloride
  • 1H-Naphtho[2,1-b]pyran, β-alanine deriv.
  • NKH 477

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